Cholest-7-en-3-ol, 6-chloro-, benzoate, (3beta,5alpha,6alpha)-
TL;DR: Cholest-7-en-3-ol, 6-chloro-, benzoate, (3beta,5alpha,6alpha)- (CAS 113274-91-2) is a chemical compound with molecular formula C34H49ClO2 and molecular weight 524.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,5S,6S,9R,10R,13R,14R,17R)-6-chloro-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate
Also Known As: 3-Bocce, 3-Benzoyloxy-6-chlorocholest-7-ene, 6-Chlorocholest-7-en-3-yl benzoate, 6-Chlorocholest-7-en-3-ol benzoate, (3beta,5alpha,6alpha)-, 3beta-Benzoyloxy-6alpha-chloro-5alpha-cholest-7-ene
| Molecular Formula | C34H49ClO2 |
|---|---|
| Molecular Weight | 524.34 g/mol |
| LogP | 9.4707 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 524.3421 |
| Heavy Atoms | 37 |
| Complexity | 984.7883 |
Chemical Identifiers
| CAS Number | 113274-91-2 |
|---|---|
| SMILES | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=C[C@@H]([C@@H]4[C@@]3(CC[C@@H](C4)OC(=O)C5=CC=CC=C5)C)Cl)C |
Product Overview
Cholest-7-en-3-ol, 6-chloro-, benzoate, (3beta,5alpha,6alpha)- (CAS 113274-91-2), with molecular formula C34H49ClO2 and molecular weight 524.34 g/mol. IUPAC: [(3S,5S,6S,9R,10R,13R,14R,17R)-6-chloro-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate.
Chemical Property Profile of Cholest-7-en-3-ol, 6-chloro-, benzoate, (3beta,5alpha,6alpha)-
Property Insights of Cholest-7-en-3-ol, 6-chloro-, benzoate, (3beta,5alpha,6alpha)-
The XLogP value of 9.4707 indicates that Cholest-7-en-3-ol, 6-chloro-, benzoate, (3beta,5alpha,6alpha)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Cholest-7-en-3-ol, 6-chloro-, benzoate, (3beta,5alpha,6alpha)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cholest-7-en-3-ol, 6-chloro-, benzoate, (3beta,5alpha,6alpha)- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cholest-7-en-3-ol, 6-chloro-, benzoate, (3beta,5alpha,6alpha)-?
The CAS number of Cholest-7-en-3-ol, 6-chloro-, benzoate, (3beta,5alpha,6alpha)- is 113274-91-2.
What is the molecular formula of Cholest-7-en-3-ol, 6-chloro-, benzoate, (3beta,5alpha,6alpha)-?
The molecular formula of Cholest-7-en-3-ol, 6-chloro-, benzoate, (3beta,5alpha,6alpha)- is C34H49ClO2.
What is the molecular weight of Cholest-7-en-3-ol, 6-chloro-, benzoate, (3beta,5alpha,6alpha)-?
The molecular weight of Cholest-7-en-3-ol, 6-chloro-, benzoate, (3beta,5alpha,6alpha)- is 524.34 g/mol.
Where can I buy Cholest-7-en-3-ol, 6-chloro-, benzoate, (3beta,5alpha,6alpha)-?
You can request a quote for Cholest-7-en-3-ol, 6-chloro-, benzoate, (3beta,5alpha,6alpha)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cholest-7-en-3-ol, 6-chloro-, benzoate, (3beta,5alpha,6alpha)-?
Yes, KEHONG BIO provides custom synthesis services for Cholest-7-en-3-ol, 6-chloro-, benzoate, (3beta,5alpha,6alpha)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.