3-Hydroxy-estra-1,3,5(10)-trien-16-one
TL;DR: 3-Hydroxy-estra-1,3,5(10)-trien-16-one (CAS 3623-90-3) is a chemical compound with molecular formula C18H22O2 and molecular weight 270.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8S,9S,13R,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,17-octahydro-6H-cyclopenta[a]phenanthren-16-one
Also Known As: 16-Estrone, 3-Hydroxyestra-1,3,5(10)-trien-16-one, 3-hydroxy-estra-1,3,5(10)-trien-16-one, 3-Hydroxy-16-oxo-oestran, BIDD:ER0097
| Molecular Formula | C18H22O2 |
|---|---|
| Molecular Weight | 270.16 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 270.162 |
| Heavy Atoms | 20 |
| Complexity | 418.0 |
Chemical Identifiers
| CAS Number | 3623-90-3 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC(=O)C2)CCC4=C3C=CC(=C4)O |
| InChIKey | VUQQUDLAAJRNMK-ZJPYXAASSA-N |
Product Overview
3-Hydroxy-estra-1,3,5(10)-trien-16-one (CAS 3623-90-3), with molecular formula C18H22O2 and molecular weight 270.16 g/mol. IUPAC: (8S,9S,13R,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,17-octahydro-6H-cyclopenta[a]phenanthren-16-one.
Chemical Property Profile of 3-Hydroxy-estra-1,3,5(10)-trien-16-one
Property Insights of 3-Hydroxy-estra-1,3,5(10)-trien-16-one
The XLogP value of 3.7 indicates that 3-Hydroxy-estra-1,3,5(10)-trien-16-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Hydroxy-estra-1,3,5(10)-trien-16-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxy-estra-1,3,5(10)-trien-16-one has 1 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 3-Hydroxy-estra-1,3,5(10)-trien-16-one?
The CAS number of 3-Hydroxy-estra-1,3,5(10)-trien-16-one is 3623-90-3.
What is the molecular formula of 3-Hydroxy-estra-1,3,5(10)-trien-16-one?
The molecular formula of 3-Hydroxy-estra-1,3,5(10)-trien-16-one is C18H22O2.
What is the molecular weight of 3-Hydroxy-estra-1,3,5(10)-trien-16-one?
The molecular weight of 3-Hydroxy-estra-1,3,5(10)-trien-16-one is 270.16 g/mol.
Where can I buy 3-Hydroxy-estra-1,3,5(10)-trien-16-one?
You can request a quote for 3-Hydroxy-estra-1,3,5(10)-trien-16-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxy-estra-1,3,5(10)-trien-16-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-estra-1,3,5(10)-trien-16-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.