11-Keto-pregnanetriol
TL;DR: 11-Keto-pregnanetriol (CAS 603-99-6) 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.
3,17-dihydroxy-17-(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: 11-Keto-pregnanetriol, NCIOpen2_008752, 3,17-dihydroxy-17-(1-hydroxyethyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-one
| Molecular Formula | C21H34O4 |
|---|---|
| Molecular Weight | 350.25 g/mol |
| LogP | 2.6809 |
| Topological Polar Surface Area | 77.76 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 350.2457 |
| Heavy Atoms | 25 |
| Complexity | 574.24335 |
Chemical Identifiers
| CAS Number | 603-99-6 |
|---|---|
| SMILES | CC(C1(CCC2C1(CC(=O)C3C2CCC4C3(CCC(C4)O)C)C)O)O |
Product Overview
11-Keto-pregnanetriol (CAS 603-99-6), with molecular formula C21H34O4 and molecular weight 350.25 g/mol. IUPAC: 3,17-dihydroxy-17-(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 11-Keto-pregnanetriol
Property Insights of 11-Keto-pregnanetriol
The XLogP value of 2.6809 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 11-Keto-pregnanetriol. The TPSA of 77.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 11-Keto-pregnanetriol. Following Lipinski's Rule of Five, 11-Keto-pregnanetriol 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 11-Keto-pregnanetriol?
The CAS number of 11-Keto-pregnanetriol is 603-99-6.
What is the molecular formula of 11-Keto-pregnanetriol?
The molecular formula of 11-Keto-pregnanetriol is C21H34O4.
What is the molecular weight of 11-Keto-pregnanetriol?
The molecular weight of 11-Keto-pregnanetriol is 350.25 g/mol.
Where can I buy 11-Keto-pregnanetriol?
You can request a quote for 11-Keto-pregnanetriol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11-Keto-pregnanetriol?
Yes, KEHONG BIO provides custom synthesis services for 11-Keto-pregnanetriol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.