9,11-Epoxycholest-7-ene-3,5,6-triol
TL;DR: 9,11-Epoxycholest-7-ene-3,5,6-triol (CAS 120152-00-3) is a chemical compound with molecular formula C27H44O4 and molecular weight 432.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,5S,7R,8R,11R,15R,17R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadec-9-ene-5,7,8-triol
Also Known As: 9,11-Ecet, 9,11-Epoxycholest-7-ene-3,5,6-triol, 9alpha,11alpha-5alpha-Cholest-7-ene-3beta,5,6beta-triol, (9xi,17xi)-5alpha,11alpha-9,11-Epoxycholest-7-ene-3beta,5,6beta-triol, Cholest-7-ene-3,5,6-triol, 9,11-epoxy-, (3beta,5alpha,6beta,11alpha)-
| Molecular Formula | C27H44O4 |
|---|---|
| Molecular Weight | 432.32 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 73.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 432.32397 |
| Heavy Atoms | 31 |
| Complexity | 762.0 |
Chemical Identifiers
| CAS Number | 120152-00-3 |
|---|---|
| SMILES | C[C@H](CCCC(C)C)C1CC[C@@H]2[C@@]1(C[C@@H]3C4(C2=C[C@H]([C@@]5([C@@]4(CC[C@@H](C5)O)C)O)O)O3)C |
| InChIKey | HJWIFUYWCCWKOA-NNBUKKMOSA-N |
Product Overview
9,11-Epoxycholest-7-ene-3,5,6-triol (CAS 120152-00-3), with molecular formula C27H44O4 and molecular weight 432.32 g/mol. IUPAC: (2S,5S,7R,8R,11R,15R,17R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadec-9-ene-5,7,8-triol.
Chemical Property Profile of 9,11-Epoxycholest-7-ene-3,5,6-triol
Property Insights of 9,11-Epoxycholest-7-ene-3,5,6-triol
The XLogP value of 4.7 indicates that 9,11-Epoxycholest-7-ene-3,5,6-triol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 9,11-Epoxycholest-7-ene-3,5,6-triol. Following Lipinski's Rule of Five, 9,11-Epoxycholest-7-ene-3,5,6-triol has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 9,11-Epoxycholest-7-ene-3,5,6-triol?
The CAS number of 9,11-Epoxycholest-7-ene-3,5,6-triol is 120152-00-3.
What is the molecular formula of 9,11-Epoxycholest-7-ene-3,5,6-triol?
The molecular formula of 9,11-Epoxycholest-7-ene-3,5,6-triol is C27H44O4.
What is the molecular weight of 9,11-Epoxycholest-7-ene-3,5,6-triol?
The molecular weight of 9,11-Epoxycholest-7-ene-3,5,6-triol is 432.32 g/mol.
Where can I buy 9,11-Epoxycholest-7-ene-3,5,6-triol?
You can request a quote for 9,11-Epoxycholest-7-ene-3,5,6-triol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9,11-Epoxycholest-7-ene-3,5,6-triol?
Yes, KEHONG BIO provides custom synthesis services for 9,11-Epoxycholest-7-ene-3,5,6-triol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.