孕三醇
TL;DR: 孕三醇 (CAS 1098-45-9) is a chemical compound with molecular formula C21H36O3 and molecular weight 336.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
孕三醇
(3R,5R,8R,9S,10S,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-3,17-diol
Also Known As: PREGNANETRIOL, PREGNANTRIOL, 5Beta-pregnane-3alpha,17alpha,20alpha-triol, 5-Pregnane-3,17,20-triol, 5-beta-Pregnane-3,17,20-triol
| Molecular Formula | C21H36O3 |
|---|---|
| Molecular Weight | 336.27 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 336.26645 |
| Heavy Atoms | 24 |
| Complexity | 507.0 |
Chemical Identifiers
| CAS Number | 1098-45-9 |
|---|---|
| SMILES | C[C@@H]([C@]1(CC[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)O |
| InChIKey | SCPADBBISMMJAW-UHHUKTEYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
孕三醇 (CAS 1098-45-9), with molecular formula C21H36O3 and molecular weight 336.27 g/mol. IUPAC: (3R,5R,8R,9S,10S,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-3,17-diol.
Chemical Property Profile of 孕三醇
Property Insights of 孕三醇
The XLogP value of 3.8 indicates that 孕三醇 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 孕三醇. Following Lipinski's Rule of Five, 孕三醇 has 3 hydrogen bond donor(s) and 3 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 孕三醇?
The CAS number of 孕三醇 is 1098-45-9.
What is the molecular formula of 孕三醇?
The molecular formula of 孕三醇 is C21H36O3.
What is the molecular weight of 孕三醇?
The molecular weight of 孕三醇 is 336.27 g/mol.
Where can I buy 孕三醇?
You can request a quote for 孕三醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 孕三醇?
Yes, KEHONG BIO provides custom synthesis services for 孕三醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.