(3beta,5alpha,6alpha)-3,5-Cyclocholestan-6-ol
TL;DR: (3beta,5alpha,6alpha)-3,5-Cyclocholestan-6-ol (CAS 5454-32-0) is a chemical compound with molecular formula C27H46O and molecular weight 386.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2R,5R,7R,8S,10S,11S,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]pentacyclo[8.7.0.02,7.05,7.011,15]heptadecan-8-ol
Also Known As: KST-1A5850, 3alpha,5-Cyclo-5alpha-cholestan-6alpha-ol, (3, A,5, A,6
| Molecular Formula | C27H46O |
|---|---|
| Molecular Weight | 386.35 g/mol |
| LogP | 8.9 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 386.35486 |
| Heavy Atoms | 28 |
| Complexity | 611.0 |
Chemical Identifiers
| CAS Number | 5454-32-0 |
|---|---|
| SMILES | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H]([C@@]45[C@@]3(CC[C@@H]4C5)C)O)C |
| InChIKey | IBDXZWQCLMSDKQ-OYYOEVTJSA-N |
Product Overview
(3beta,5alpha,6alpha)-3,5-Cyclocholestan-6-ol (CAS 5454-32-0), with molecular formula C27H46O and molecular weight 386.35 g/mol. IUPAC: (1S,2R,5R,7R,8S,10S,11S,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]pentacyclo[8.7.0.02,7.05,7.011,15]heptadecan-8-ol.
Chemical Property Profile of (3beta,5alpha,6alpha)-3,5-Cyclocholestan-6-ol
Property Insights of (3beta,5alpha,6alpha)-3,5-Cyclocholestan-6-ol
The XLogP value of 8.9 indicates that (3beta,5alpha,6alpha)-3,5-Cyclocholestan-6-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, (3beta,5alpha,6alpha)-3,5-Cyclocholestan-6-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3beta,5alpha,6alpha)-3,5-Cyclocholestan-6-ol has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (3beta,5alpha,6alpha)-3,5-Cyclocholestan-6-ol?
The CAS number of (3beta,5alpha,6alpha)-3,5-Cyclocholestan-6-ol is 5454-32-0.
What is the molecular formula of (3beta,5alpha,6alpha)-3,5-Cyclocholestan-6-ol?
The molecular formula of (3beta,5alpha,6alpha)-3,5-Cyclocholestan-6-ol is C27H46O.
What is the molecular weight of (3beta,5alpha,6alpha)-3,5-Cyclocholestan-6-ol?
The molecular weight of (3beta,5alpha,6alpha)-3,5-Cyclocholestan-6-ol is 386.35 g/mol.
Where can I buy (3beta,5alpha,6alpha)-3,5-Cyclocholestan-6-ol?
You can request a quote for (3beta,5alpha,6alpha)-3,5-Cyclocholestan-6-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3beta,5alpha,6alpha)-3,5-Cyclocholestan-6-ol?
Yes, KEHONG BIO provides custom synthesis services for (3beta,5alpha,6alpha)-3,5-Cyclocholestan-6-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.