Pregnanetriolone
TL;DR: Pregnanetriolone (CAS 6084-44-2) 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.
(3R,5R,8S,9S,10S,13S,14S,17R)-3,17-dihydroxy-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-one
Also Known As: Pregnanetriolone, 11-Ketopregnanetriol, 11-Keto-pregnanetriol, 3-(diethylamino)propanoic acid, KST-1A6472
| Molecular Formula | C21H34O4 |
|---|---|
| Molecular Weight | 350.25 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 350.2457 |
| Heavy Atoms | 25 |
| Complexity | 576.0 |
Chemical Identifiers
| CAS Number | 6084-44-2 |
|---|---|
| SMILES | C[C@@H]([C@]1(CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C)O)O |
| InChIKey | WKFXHNDWEHDGQD-ZQRGSSBZSA-N |
Product Overview
Pregnanetriolone (CAS 6084-44-2), with molecular formula C21H34O4 and molecular weight 350.25 g/mol. IUPAC: (3R,5R,8S,9S,10S,13S,14S,17R)-3,17-dihydroxy-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-one.
Chemical Property Profile of Pregnanetriolone
Property Insights of Pregnanetriolone
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pregnanetriolone. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Pregnanetriolone. Following Lipinski's Rule of Five, Pregnanetriolone has 3 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 Pregnanetriolone?
The CAS number of Pregnanetriolone is 6084-44-2.
What is the molecular formula of Pregnanetriolone?
The molecular formula of Pregnanetriolone is C21H34O4.
What is the molecular weight of Pregnanetriolone?
The molecular weight of Pregnanetriolone is 350.25 g/mol.
Where can I buy Pregnanetriolone?
You can request a quote for Pregnanetriolone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pregnanetriolone?
Yes, KEHONG BIO provides custom synthesis services for Pregnanetriolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.