CAS No.30744-85-5,Pentanamide,N-[5-[[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]-1-oxobutyl]amino]-2-chlorophenyl]-4,4-dimethyl-3-oxo-2-[4-[[4-(phenylmethoxy)phenyl]sulfonyl]phenoxy]- Suppliers

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Basic Information

Molecular Structure:
CAS No.:	30744-85-5
Name:	Pentanamide,N-[5-[[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]-1-oxobutyl]amino]-2-chlorophenyl]-4,4-dimethyl-3-oxo-2-[4-[[4-(phenylmethoxy)phenyl]sulfonyl]phenoxy]-

Formula:	C₅₂H₆₁ClN₂O₈S
Molecular Weight:	909.57
Synonyms:	Valeranilide,2-[p-[[p-(benzyloxy)phenyl]sulfonyl]phenoxy]-2'-chloro-5'-[4-(2,4-di-tert-pentylphenoxy)butyramido]-4,4-dimethyl-3-oxo-(8CI);a-Pivalyl-a-[4-(4-benzyloxyphenylsulfonyl)phenoxy]-2-chloro-5-[g-(2,4-di-tert-amylphenoxy)butyramido]acetanilide;
EINECS:	250-321-7
Density:	1.201 g/cm³
Melting Point:	N/A
Boiling Point:	988.2 °C at 760 mmHg
Flash Point:	551.4 °C
Solubility:	N/A
Appearance:	N/A
Hazard Symbols:	N/A
Risk Codes:	N/A
Safety:
Transport Information:	N/A
PSA:	145.48000
LogP:	13.15280

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Chemistry

IUPAC Name: N-[5-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-2-chlorophenyl]-4,4-dimethyl-3-oxo-2-[4-(4-phenylmethoxyphenyl)sulfonylphenoxy]pentanamide
Empirical Formula: C₅₂H₆₁ClN₂O₈S
Molecular Weight: 909.5673
EINECS: 250-321-7
Structure of Pentanamide,N-[5-[[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]-1-oxobutyl]amino]-2-chlorophenyl]-4,4-dimethyl-3-oxo-2-[4-[[4-(phenylmethoxy)phenyl]sulfonyl]phenoxy]- (CAS NO.30744-85-5):

Index of Refraction: 1.585
Molar Refractivity: 253.96 cm³
Molar Volume: 756.8 cm³
Polarizability: 100.67×10^-24cm³
Surface Tension: 49.5 dyne/cm
Density: 1.201 g/cm³
Flash Point: 551.4 °C
Enthalpy of Vaporization: 144.28 kJ/mol
Boiling Point: 988.2 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C
Product Categories: Organics
Canonical SMILES: CCC(C)(C)C1=CC(=C(C=C1)OCCCC(=O)NC2=CC(=C(C=C2)Cl)NC(=O)C(C(=O)C(C)(C)C)
OC3=CC=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)OCC5=CC=CC=C5)C(C)(C)CC
InChI: InChI=1S/C52H61ClN2O8S/c1-10-51(6,7)36-19-30-45(42(32-36)52(8,9)11-2)61-31-15-18-46(56)54-37-20-29-43(53)44(33-37)55-49(58)47(48(57)50(3,4)5)63-39-23-27-41(28-24-39)64(59,60)40-25-21-38(22-26-40)62-34-35-16-13-12-14-17-35/h12-14,16-17,19-30,32-33,47H,10-11,15,18,31,34H2,1-9H3,(H,54,56)(H,55,58)
InChIKey: AHFGXYNQFIKDFT-UHFFFAOYSA-N

Specification

Pentanamide,N-[5-[[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]-1-oxobutyl]amino]-2-chlorophenyl]-4,4-dimethyl-3-oxo-2-[4-[[4-(phenylmethoxy)phenyl]sulfonyl]phenoxy]- , its cas register number is 30744-85-5. It also can be called 2-(4-{[4-(Benzyloxy)phenyl]sulfonyl}phenoxy)-N-[5-({4-[2,4-bis(2-methyl-2-butanyl)phenoxy]butanoyl}amino)-2-chlorophenyl]-4,4-dimethyl-3-oxopentanamide ; N-[5-[[4-[2,4-bis(1,1-Dimethylpropyl)phenoxy]-1-oxobutyl]amino]-2-chlorophenyl]-4,4-dimethyl-3-oxo-2-[4-[[4-(phenylmethoxy)phenyl]sulphonyl]phenoxy]pentanamide .