3beta-Hydroxy-5-cholestenoic acid
TL;DR: 3beta-Hydroxy-5-cholestenoic acid (CAS 56845-87-5) is a chemical compound with molecular formula C27H44O3 and molecular weight 416.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6R)-6-[(3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptanoic acid
Also Known As: 3beta-Hydroxy-5-cholestenoic acid, 3-Hydroxy-5-cholestenoic acid, 3-HCOA, Cholesterol Impurity 39, cholestenoic acid-[d5]
| Molecular Formula | C27H44O3 |
|---|---|
| Molecular Weight | 416.33 g/mol |
| LogP | 7.1 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 416.32904 |
| Heavy Atoms | 30 |
| Complexity | 684.0 |
Chemical Identifiers
| CAS Number | 56845-87-5 |
|---|---|
| SMILES | C[C@H](CCCC(C)C(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C |
| InChIKey | WVXOMPRLWLXFAP-AMQKJUDNSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3beta-Hydroxy-5-cholestenoic acid (CAS 56845-87-5), with molecular formula C27H44O3 and molecular weight 416.33 g/mol. IUPAC: (6R)-6-[(3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptanoic acid.
Chemical Property Profile of 3beta-Hydroxy-5-cholestenoic acid
Property Insights of 3beta-Hydroxy-5-cholestenoic acid
The XLogP value of 7.1 indicates that 3beta-Hydroxy-5-cholestenoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, 3beta-Hydroxy-5-cholestenoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3beta-Hydroxy-5-cholestenoic acid has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3beta-Hydroxy-5-cholestenoic acid?
The CAS number of 3beta-Hydroxy-5-cholestenoic acid is 56845-87-5.
What is the molecular formula of 3beta-Hydroxy-5-cholestenoic acid?
The molecular formula of 3beta-Hydroxy-5-cholestenoic acid is C27H44O3.
What is the molecular weight of 3beta-Hydroxy-5-cholestenoic acid?
The molecular weight of 3beta-Hydroxy-5-cholestenoic acid is 416.33 g/mol.
Where can I buy 3beta-Hydroxy-5-cholestenoic acid?
You can request a quote for 3beta-Hydroxy-5-cholestenoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3beta-Hydroxy-5-cholestenoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3beta-Hydroxy-5-cholestenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.