pregnanediol
TL;DR: pregnanediol (CAS 26445-07-8) is a chemical compound with molecular formula C21H36O2 and molecular weight 320.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8S,9S,10S,13R,14S,17S)-17-ethyl-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,3-diol
Also Known As: pregnanediol, Pregnane-3,3-diol, Pregnanediol (VAN), (8S,9S,10S,13R,14S,17S)-17-ethyl-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,3-diol
| Molecular Formula | C21H36O2 |
|---|---|
| Molecular Weight | 320.27 g/mol |
| LogP | 4.7362 |
| Topological Polar Surface Area | 40.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 320.27155 |
| Heavy Atoms | 23 |
| Complexity | 472.46204 |
Chemical Identifiers
| CAS Number | 26445-07-8 |
|---|---|
| SMILES | CC[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4[C@@]3(CCC(C4)(O)O)C)C |
Product Overview
pregnanediol (CAS 26445-07-8), with molecular formula C21H36O2 and molecular weight 320.27 g/mol. IUPAC: (8S,9S,10S,13R,14S,17S)-17-ethyl-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,3-diol.
Chemical Property Profile of pregnanediol
Property Insights of pregnanediol
The XLogP value of 4.7362 indicates that pregnanediol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.46 Ų, pregnanediol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, pregnanediol has 2 hydrogen bond donor(s) and 2 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 pregnanediol?
The CAS number of pregnanediol is 26445-07-8.
What is the molecular formula of pregnanediol?
The molecular formula of pregnanediol is C21H36O2.
What is the molecular weight of pregnanediol?
The molecular weight of pregnanediol is 320.27 g/mol.
Where can I buy pregnanediol?
You can request a quote for pregnanediol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for pregnanediol?
Yes, KEHONG BIO provides custom synthesis services for pregnanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.