(3beta,7alpha)-3,7-Dihydroxycholest-5-en-26-oic acid
TL;DR: (3beta,7alpha)-3,7-Dihydroxycholest-5-en-26-oic acid (CAS 115538-84-6) 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.
(6R)-6-[(3S,7S,8S,9S,10R,13R,14S,17R)-3,7-dihydroxy-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,7alpha-Dihydroxy-5-cholestenoate, 3,7-Dihydroxy-5-cholestenoic acid, 3,7-dihydroxy-5-cholestenoate, 3beta,7alpha-dihydroxy-5-cholestenoic acid, 3beta,7alpha-Dihydroxy-5-cholesten-26-oic acid
| Molecular Formula | C27H44O4 |
|---|---|
| Molecular Weight | 432.32 g/mol |
| LogP | 5.4242 |
| Topological Polar Surface Area | 77.76 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 432.32397 |
| Heavy Atoms | 31 |
| Complexity | 716.025 |
Chemical Identifiers
| CAS Number | 115538-84-6 |
|---|---|
| SMILES | C[C@H](CCCC(C)C(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C=C4[C@@]3(CC[C@@H](C4)O)C)O)C |
Product Overview
(3beta,7alpha)-3,7-Dihydroxycholest-5-en-26-oic acid (CAS 115538-84-6), with molecular formula C27H44O4 and molecular weight 432.32 g/mol. IUPAC: (6R)-6-[(3S,7S,8S,9S,10R,13R,14S,17R)-3,7-dihydroxy-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,7alpha)-3,7-Dihydroxycholest-5-en-26-oic acid
Property Insights of (3beta,7alpha)-3,7-Dihydroxycholest-5-en-26-oic acid
The XLogP value of 5.4242 indicates that (3beta,7alpha)-3,7-Dihydroxycholest-5-en-26-oic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.76 Ų falls within the moderate polarity range, balancing permeability and solubility for (3beta,7alpha)-3,7-Dihydroxycholest-5-en-26-oic acid. Following Lipinski's Rule of Five, (3beta,7alpha)-3,7-Dihydroxycholest-5-en-26-oic acid has 3 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,7alpha)-3,7-Dihydroxycholest-5-en-26-oic acid?
The CAS number of (3beta,7alpha)-3,7-Dihydroxycholest-5-en-26-oic acid is 115538-84-6.
What is the molecular formula of (3beta,7alpha)-3,7-Dihydroxycholest-5-en-26-oic acid?
The molecular formula of (3beta,7alpha)-3,7-Dihydroxycholest-5-en-26-oic acid is C27H44O4.
What is the molecular weight of (3beta,7alpha)-3,7-Dihydroxycholest-5-en-26-oic acid?
The molecular weight of (3beta,7alpha)-3,7-Dihydroxycholest-5-en-26-oic acid is 432.32 g/mol.
Where can I buy (3beta,7alpha)-3,7-Dihydroxycholest-5-en-26-oic acid?
You can request a quote for (3beta,7alpha)-3,7-Dihydroxycholest-5-en-26-oic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3beta,7alpha)-3,7-Dihydroxycholest-5-en-26-oic acid?
Yes, KEHONG BIO provides custom synthesis services for (3beta,7alpha)-3,7-Dihydroxycholest-5-en-26-oic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.