孕二醇
TL;DR: 孕二醇 (CAS 666752-60-9) 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.
孕二醇
(3R,5R,8R,9S,10S,13S,14S,17S)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
Also Known As: pregnanediol, Pregnandiol, Diol, 5beta-Pregnane-3alpha,20alpha-diol, Allopregnanediol
| Molecular Formula | C21H36O2 |
|---|---|
| Molecular Weight | 320.27 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 320.27155 |
| Heavy Atoms | 23 |
| Complexity | 463.0 |
Chemical Identifiers
| CAS Number | 666752-60-9 |
|---|---|
| SMILES | C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C)O |
| InChIKey | YWYQTGBBEZQBGO-BERLURQNSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
孕二醇 (CAS 666752-60-9), with molecular formula C21H36O2 and molecular weight 320.27 g/mol. IUPAC: (3R,5R,8R,9S,10S,13S,14S,17S)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol.
Chemical Property Profile of 孕二醇
Property Insights of 孕二醇
The XLogP value of 5.2 indicates that 孕二醇 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 孕二醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 孕二醇 has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 孕二醇?
The CAS number of 孕二醇 is 666752-60-9.
What is the molecular formula of 孕二醇?
The molecular formula of 孕二醇 is C21H36O2.
What is the molecular weight of 孕二醇?
The molecular weight of 孕二醇 is 320.27 g/mol.
Where can I buy 孕二醇?
You can request a quote for 孕二醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 孕二醇?
Yes, KEHONG BIO provides custom synthesis services for 孕二醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.