Estra-4,9,11-trien-3-one, 16,17-dihydroxy-, (16alpha,17beta)-
TL;DR: Estra-4,9,11-trien-3-one, 16,17-dihydroxy-, (16alpha,17beta)- (CAS 80777-57-7) 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,13S,14S,16R,17R)-16,17-dihydroxy-13-methyl-2,6,7,8,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-one
Also Known As: 16,17-Dihydroxyestra-4,9,11-trien-3-one, 16alpha,17beta-Dihydroxyestra-4,9,11-trien-3-one, Estra-4,9,11-trien-3-one, 16,17-dihydroxy-, (16alpha,17beta)-, (1R,2R,3aS,3bS,11aS)-1,2-dihydroxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,11aH-cyclopenta[a]phenanthren-7-one, (8S,13S,14S,16R,17R)-16,17-dihydroxy-13-methyl-2,6,7,8,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-one
| Molecular Formula | C18H22O3 |
|---|---|
| Molecular Weight | 286.16 g/mol |
| LogP | 0.9 |
| 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 | 598.0 |
Chemical Identifiers
| CAS Number | 80777-57-7 |
|---|---|
| SMILES | C[C@]12C=CC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1C[C@H]([C@@H]2O)O |
| InChIKey | MUKPUHNHYCCPRP-WKULXVSPSA-N |
Product Overview
Estra-4,9,11-trien-3-one, 16,17-dihydroxy-, (16alpha,17beta)- (CAS 80777-57-7), with molecular formula C18H22O3 and molecular weight 286.16 g/mol. IUPAC: (8S,13S,14S,16R,17R)-16,17-dihydroxy-13-methyl-2,6,7,8,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-one.
Chemical Property Profile of Estra-4,9,11-trien-3-one, 16,17-dihydroxy-, (16alpha,17beta)-
Property Insights of Estra-4,9,11-trien-3-one, 16,17-dihydroxy-, (16alpha,17beta)-
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Estra-4,9,11-trien-3-one, 16,17-dihydroxy-, (16alpha,17beta)-. With a topological polar surface area (TPSA) of 57.5 Ų, Estra-4,9,11-trien-3-one, 16,17-dihydroxy-, (16alpha,17beta)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Estra-4,9,11-trien-3-one, 16,17-dihydroxy-, (16alpha,17beta)- 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 Estra-4,9,11-trien-3-one, 16,17-dihydroxy-, (16alpha,17beta)-?
The CAS number of Estra-4,9,11-trien-3-one, 16,17-dihydroxy-, (16alpha,17beta)- is 80777-57-7.
What is the molecular formula of Estra-4,9,11-trien-3-one, 16,17-dihydroxy-, (16alpha,17beta)-?
The molecular formula of Estra-4,9,11-trien-3-one, 16,17-dihydroxy-, (16alpha,17beta)- is C18H22O3.
What is the molecular weight of Estra-4,9,11-trien-3-one, 16,17-dihydroxy-, (16alpha,17beta)-?
The molecular weight of Estra-4,9,11-trien-3-one, 16,17-dihydroxy-, (16alpha,17beta)- is 286.16 g/mol.
Where can I buy Estra-4,9,11-trien-3-one, 16,17-dihydroxy-, (16alpha,17beta)-?
You can request a quote for Estra-4,9,11-trien-3-one, 16,17-dihydroxy-, (16alpha,17beta)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Estra-4,9,11-trien-3-one, 16,17-dihydroxy-, (16alpha,17beta)-?
Yes, KEHONG BIO provides custom synthesis services for Estra-4,9,11-trien-3-one, 16,17-dihydroxy-, (16alpha,17beta)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.