Boucerin
TL;DR: Boucerin (CAS 18463-31-5) is a chemical compound with molecular formula C21H34O4 and molecular weight 350.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,8R,9S,10R,12R,13S,14S,17S)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,12,14-triol
Also Known As: Boucerin, pregn-5-ene-3,12,14,20-tetrol, 14beta-Pregn-5-ene-3beta,12beta,14,20beta-tetrol, (20R)-Pregn-5-ene-3beta,12beta,14beta,20-tetrol, (3S,8R,9S,10R,12R,13S,14S,17S)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,12,14-triol
| Molecular Formula | C21H34O4 |
|---|---|
| Molecular Weight | 350.25 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 350.2457 |
| Heavy Atoms | 25 |
| Complexity | 588.0 |
Chemical Identifiers
| CAS Number | 18463-31-5 |
|---|---|
| SMILES | C[C@@H]([C@H]1CC[C@]2([C@@]1([C@@H](C[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)O)C)O)O |
| InChIKey | GWFUMWNECJPGQG-YUAPFLQOSA-N |
Product Overview
Boucerin (CAS 18463-31-5), with molecular formula C21H34O4 and molecular weight 350.25 g/mol. IUPAC: (3S,8R,9S,10R,12R,13S,14S,17S)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,12,14-triol.
Chemical Property Profile of Boucerin
Property Insights of Boucerin
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Boucerin. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Boucerin. Following Lipinski's Rule of Five, Boucerin has 4 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 Boucerin?
The CAS number of Boucerin is 18463-31-5.
What is the molecular formula of Boucerin?
The molecular formula of Boucerin is C21H34O4.
What is the molecular weight of Boucerin?
The molecular weight of Boucerin is 350.25 g/mol.
Where can I buy Boucerin?
You can request a quote for Boucerin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Boucerin?
Yes, KEHONG BIO provides custom synthesis services for Boucerin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.