3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate
TL;DR: 3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate (CAS 27590-95-0) is a chemical compound with molecular formula C28H46O3 and molecular weight 430.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,4S,5S,9R,10S,13R,14R,17R)-3-hydroxy-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]phenanthrene-4-carboxylic acid
Also Known As: 4?-Carboxy-cholest-7-en-3?-ol, 3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate, J1.124.507B, 3beta-Hydroxy 5alpha-cholest-7-ene-4alpha-carboxylic acid, 3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylic acid
| Molecular Formula | C28H46O3 |
|---|---|
| Molecular Weight | 430.34 g/mol |
| LogP | 8.0 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 430.3447 |
| Heavy Atoms | 31 |
| Complexity | 711.0 |
Chemical Identifiers
| CAS Number | 27590-95-0 |
|---|---|
| SMILES | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CC[C@@H]([C@H]4C(=O)O)O)C)C |
| InChIKey | FXBZYWGMTFSORP-QPCSTCLVSA-N |
Product Overview
3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate (CAS 27590-95-0), with molecular formula C28H46O3 and molecular weight 430.34 g/mol. IUPAC: (3S,4S,5S,9R,10S,13R,14R,17R)-3-hydroxy-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]phenanthrene-4-carboxylic acid.
Chemical Property Profile of 3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate
Property Insights of 3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate
The XLogP value of 8.0 indicates that 3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate 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-5alpha-cholest-7-ene-4alpha-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate 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-5alpha-cholest-7-ene-4alpha-carboxylate?
The CAS number of 3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate is 27590-95-0.
What is the molecular formula of 3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate?
The molecular formula of 3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate is C28H46O3.
What is the molecular weight of 3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate?
The molecular weight of 3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate is 430.34 g/mol.
Where can I buy 3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate?
You can request a quote for 3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 3beta-Hydroxy-5alpha-cholest-7-ene-4alpha-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.