chempirical

Avasimibe

C29H43NO4SCAS 166518-60-1501.73 g/mol

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Properties

Molecular formula
C29H43NO4S
Molar mass
501.73 g/mol
Exact mass
501.2913 Da
logP
8.13Crippen estimate
Polar surface area
76.0 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
10

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
166518-60-1
SMILES
CC(C)c1cc(C(C)C)c(CC(O)=NS(=O)(=O)Oc2c(C(C)C)cccc2C(C)C)c(C(C)C)c1
InChIKey
PTQXTEKSNBVPQJ-UHFFFAOYSA-N
InChI
InChI=1S/C29H43NO4S/c1-17(2)22-14-25(20(7)8)27(26(15-22)21(9)10)16-28(31)30-35(32,33)34-29-23(18(3)4)12-11-13-24(29)19(5)6/h11-15,17-21H,16H2,1-10H3,(H,30,31)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • Sulfamic acid, N-[2-[2,4,6-tris(1-methylethyl)phenyl]acetyl]-, 2,6-bis(1-methylethyl)phenyl ester
  • Sulfamic acid, [[2,4,6-tris(1-methylethyl)phenyl]acetyl]-, 2,6-bis(1-methylethyl)phenyl ester
  • CI 1011
  • PD 148515
  • Avasimin
  • 2,6-Diisopropylphenyl (2-(2,4,6-triisopropylphenyl)acetyl)sulfamate

Work with Avasimibe

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,4,6-Tris(1-methylethyl)benzoic acid49623-71-437 % similar 3,5-Diisopropylsalicylic acid2215-21-636 % similar 1-[2,4,6-Tris(1-methylethyl)phenyl]ethanone2234-14-232 % similar 2,4,6-Tris(1-methylethyl)benzenesulfonyl chloride6553-96-431 % similar 4-(1-Methylethyl)benzeneacetic acid4476-28-231 % similar 2,4,6-Triisopropylbenzenesulfonyl azide36982-84-031 % similar 2,4,6-Triisopropylbenzenesulphonohydrazide39085-59-130 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook