PREGNANETRIOL
TL;DR: PREGNANETRIOL (CAS 520-86-5) 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.
(3S,5S,8R,9S,10S,13S,14S,17R)-17-(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, (3S,5S,8R,9S,10S,13S,14S,17R)-17-(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
| Molecular Formula | C21H36O3 |
|---|---|
| Molecular Weight | 336.27 g/mol |
| LogP | 3.5019 |
| Topological Polar Surface Area | 60.69 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 336.26645 |
| Heavy Atoms | 24 |
| Complexity | 505.31232 |
Chemical Identifiers
| CAS Number | 520-86-5 |
|---|---|
| SMILES | CC([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 |
Product Overview
PREGNANETRIOL (CAS 520-86-5), with molecular formula C21H36O3 and molecular weight 336.27 g/mol. IUPAC: (3S,5S,8R,9S,10S,13S,14S,17R)-17-(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 PREGNANETRIOL
Property Insights of PREGNANETRIOL
The XLogP value of 3.5019 indicates that PREGNANETRIOL is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.69 Ų falls within the moderate polarity range, balancing permeability and solubility for PREGNANETRIOL. Following Lipinski's Rule of Five, PREGNANETRIOL 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 PREGNANETRIOL?
The CAS number of PREGNANETRIOL is 520-86-5.
What is the molecular formula of PREGNANETRIOL?
The molecular formula of PREGNANETRIOL is C21H36O3.
What is the molecular weight of PREGNANETRIOL?
The molecular weight of PREGNANETRIOL is 336.27 g/mol.
Where can I buy PREGNANETRIOL?
You can request a quote for PREGNANETRIOL directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for PREGNANETRIOL?
Yes, KEHONG BIO provides custom synthesis services for PREGNANETRIOL and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.