Pregnanetetrol
TL;DR: Pregnanetetrol (CAS 1242-48-4) 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.
(3R,5R,8S,9S,10S,11S,13S,14S,17R)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,11,17-triol
Also Known As: Pregnanetetrol, Cid 150904, pregnane-3,11,17,20-tetrol, 5beta-Pregnane-3alpha,11beta,17,20alpha-tetrol, (3R,5R,8S,9S,10S,11S,13S,14S,17R)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,11,17-triol
| Molecular Formula | C21H36O4 |
|---|---|
| Molecular Weight | 352.26 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 352.26135 |
| Heavy Atoms | 25 |
| Complexity | 538.0 |
Chemical Identifiers
| CAS Number | 1242-48-4 |
|---|---|
| SMILES | C[C@@H]([C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C)O)O |
| InChIKey | CQRHDJNAPDZBCN-ZCXVUIRUSA-N |
Product Overview
Pregnanetetrol (CAS 1242-48-4), with molecular formula C21H36O4 and molecular weight 352.26 g/mol. IUPAC: (3R,5R,8S,9S,10S,11S,13S,14S,17R)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,11,17-triol.
Chemical Property Profile of Pregnanetetrol
Property Insights of Pregnanetetrol
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pregnanetetrol. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Pregnanetetrol. Following Lipinski's Rule of Five, Pregnanetetrol 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 Pregnanetetrol?
The CAS number of Pregnanetetrol is 1242-48-4.
What is the molecular formula of Pregnanetetrol?
The molecular formula of Pregnanetetrol is C21H36O4.
What is the molecular weight of Pregnanetetrol?
The molecular weight of Pregnanetetrol is 352.26 g/mol.
Where can I buy Pregnanetetrol?
You can request a quote for Pregnanetetrol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pregnanetetrol?
Yes, KEHONG BIO provides custom synthesis services for Pregnanetetrol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.