Estra-1,4-diene-3,17-dione, 10-hydroxy-
TL;DR: Estra-1,4-diene-3,17-dione, 10-hydroxy- (CAS 549-03-1) 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.
(8S,9S,10S,13S,14S)-10-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione
Also Known As: 10-Hydroxyestra-1,4-diene-3,17-dione, ESTRA-1,4-DIENE-3,17-DIONE, 10-HYDROXY-, 3,3-Dibromo-1-iodo-2-heptanone, 10.beta.-Hydroxyestra-1,17-dione, 4-08-00-02404 (Beilstein Handbook Reference)
| Molecular Formula | C18H22O3 |
|---|---|
| Molecular Weight | 286.16 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 286.1569 |
| Heavy Atoms | 21 |
| Complexity | 587.0 |
Chemical Identifiers
| CAS Number | 549-03-1 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=O)C=C[C@]34O |
| InChIKey | RVUDOXUDSXVAEV-FTAMUGHTSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Estra-1,4-diene-3,17-dione, 10-hydroxy- (CAS 549-03-1), with molecular formula C18H22O3 and molecular weight 286.16 g/mol. IUPAC: (8S,9S,10S,13S,14S)-10-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione.
Chemical Property Profile of Estra-1,4-diene-3,17-dione, 10-hydroxy-
Property Insights of Estra-1,4-diene-3,17-dione, 10-hydroxy-
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Estra-1,4-diene-3,17-dione, 10-hydroxy-. With a topological polar surface area (TPSA) of 54.4 Ų, Estra-1,4-diene-3,17-dione, 10-hydroxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Estra-1,4-diene-3,17-dione, 10-hydroxy- has 1 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 Estra-1,4-diene-3,17-dione, 10-hydroxy-?
The CAS number of Estra-1,4-diene-3,17-dione, 10-hydroxy- is 549-03-1.
What is the molecular formula of Estra-1,4-diene-3,17-dione, 10-hydroxy-?
The molecular formula of Estra-1,4-diene-3,17-dione, 10-hydroxy- is C18H22O3.
What is the molecular weight of Estra-1,4-diene-3,17-dione, 10-hydroxy-?
The molecular weight of Estra-1,4-diene-3,17-dione, 10-hydroxy- is 286.16 g/mol.
Where can I buy Estra-1,4-diene-3,17-dione, 10-hydroxy-?
You can request a quote for Estra-1,4-diene-3,17-dione, 10-hydroxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Estra-1,4-diene-3,17-dione, 10-hydroxy-?
Yes, KEHONG BIO provides custom synthesis services for Estra-1,4-diene-3,17-dione, 10-hydroxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.