14-Hydroxyestrone
TL;DR: 14-Hydroxyestrone (CAS 5949-46-2) is a chemical compound with molecular formula C18H22O3 and molecular weight 286.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,9S,13S)-3,14-dihydroxy-13-methyl-6,7,8,9,11,12,15,16-octahydrocyclopenta[a]phenanthren-17-one
Also Known As: 14-Hydroxyestrone, Estra-1,3,5(10)-trien-17-one, 3,14-dihydroxy-, 3,14-Dihydroxyestra-1(10),2,4-trien-17-one, (8R,9S,13S)-3,14-dihydroxy-13-methyl-6,7,8,9,11,12,15,16-octahydrocyclopenta[a]phenanthren-17-one, (14xi)-3,14-Dihydroxyestra-1(10),2,4-trien-17-one
| Molecular Formula | C18H22O3 |
|---|---|
| Molecular Weight | 286.16 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 286.1569 |
| Heavy Atoms | 21 |
| Complexity | 461.0 |
Chemical Identifiers
| CAS Number | 5949-46-2 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H](C1(CCC2=O)O)CCC4=C3C=CC(=C4)O |
| InChIKey | AEJPUEILJPVYOZ-MWPGWRTMSA-N |
Product Overview
14-Hydroxyestrone (CAS 5949-46-2), with molecular formula C18H22O3 and molecular weight 286.16 g/mol. IUPAC: (8R,9S,13S)-3,14-dihydroxy-13-methyl-6,7,8,9,11,12,15,16-octahydrocyclopenta[a]phenanthren-17-one.
Chemical Property Profile of 14-Hydroxyestrone
Property Insights of 14-Hydroxyestrone
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 14-Hydroxyestrone. With a topological polar surface area (TPSA) of 57.5 Ų, 14-Hydroxyestrone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 14-Hydroxyestrone has 2 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 14-Hydroxyestrone?
The CAS number of 14-Hydroxyestrone is 5949-46-2.
What is the molecular formula of 14-Hydroxyestrone?
The molecular formula of 14-Hydroxyestrone is C18H22O3.
What is the molecular weight of 14-Hydroxyestrone?
The molecular weight of 14-Hydroxyestrone is 286.16 g/mol.
Where can I buy 14-Hydroxyestrone?
You can request a quote for 14-Hydroxyestrone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 14-Hydroxyestrone?
Yes, KEHONG BIO provides custom synthesis services for 14-Hydroxyestrone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.