5alpha-Pregnane-3beta,11beta,20beta,21-tetrol
TL;DR: 5alpha-Pregnane-3beta,11beta,20beta,21-tetrol (CAS 944-99-0) is a chemical compound with molecular formula C21H36O4 and molecular weight 352.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,5S,8S,9S,10S,11S,13S,14S,17S)-17-[(1S)-1,2-dihydroxyethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,11-diol
Also Known As: pregnane-3,11,20,21-tetrol, Sid 770210, KST-1A9078, 5alpha-Pregnane-3beta,11beta,20beta,21-tetrol, ethyl 2-formylbicyclo[2.2.1]hept-5-ene-3-carboxylate
| Molecular Formula | C21H36O4 |
|---|---|
| Molecular Weight | 352.26 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 352.26135 |
| Heavy Atoms | 25 |
| Complexity | 510.0 |
Chemical Identifiers
| CAS Number | 944-99-0 |
|---|---|
| SMILES | C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4[C@@H](CO)O)C)O)O |
| InChIKey | AVWPXRTWDBUIQR-QTYNMNAUSA-N |
Product Overview
5alpha-Pregnane-3beta,11beta,20beta,21-tetrol (CAS 944-99-0), with molecular formula C21H36O4 and molecular weight 352.26 g/mol. IUPAC: (3S,5S,8S,9S,10S,11S,13S,14S,17S)-17-[(1S)-1,2-dihydroxyethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,11-diol.
Chemical Property Profile of 5alpha-Pregnane-3beta,11beta,20beta,21-tetrol
Property Insights of 5alpha-Pregnane-3beta,11beta,20beta,21-tetrol
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5alpha-Pregnane-3beta,11beta,20beta,21-tetrol. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5alpha-Pregnane-3beta,11beta,20beta,21-tetrol. Following Lipinski's Rule of Five, 5alpha-Pregnane-3beta,11beta,20beta,21-tetrol 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 5alpha-Pregnane-3beta,11beta,20beta,21-tetrol?
The CAS number of 5alpha-Pregnane-3beta,11beta,20beta,21-tetrol is 944-99-0.
What is the molecular formula of 5alpha-Pregnane-3beta,11beta,20beta,21-tetrol?
The molecular formula of 5alpha-Pregnane-3beta,11beta,20beta,21-tetrol is C21H36O4.
What is the molecular weight of 5alpha-Pregnane-3beta,11beta,20beta,21-tetrol?
The molecular weight of 5alpha-Pregnane-3beta,11beta,20beta,21-tetrol is 352.26 g/mol.
Where can I buy 5alpha-Pregnane-3beta,11beta,20beta,21-tetrol?
You can request a quote for 5alpha-Pregnane-3beta,11beta,20beta,21-tetrol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5alpha-Pregnane-3beta,11beta,20beta,21-tetrol?
Yes, KEHONG BIO provides custom synthesis services for 5alpha-Pregnane-3beta,11beta,20beta,21-tetrol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.