1,3-Dihydroxyestra-1(10),2,4-trien-17-one
TL;DR: 1,3-Dihydroxyestra-1(10),2,4-trien-17-one (CAS 60966-54-3) 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.
1,3-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
Also Known As: 1-Hydroxyestrone, 1,3-Dihydroxyestra-1(10),2,4-trien-17-one, 1,3-Dihydroxyestra-1,3,5(10)-trien-17-one, ESTRA-1,3,5(10)-TRIEN-17-ONE, 1,3-DIHYDROXY-, 1,3-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
| Molecular Formula | C18H22O3 |
|---|---|
| Molecular Weight | 286.16 g/mol |
| LogP | 2.8 |
| 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 | 448.0 |
Chemical Identifiers
| CAS Number | 60966-54-3 |
|---|---|
| SMILES | CC12CCC3C(C1CCC2=O)CCC4=C3C(=CC(=C4)O)O |
| InChIKey | FDTPYROSMUKXFK-UHFFFAOYSA-N |
Product Overview
1,3-Dihydroxyestra-1(10),2,4-trien-17-one (CAS 60966-54-3), with molecular formula C18H22O3 and molecular weight 286.16 g/mol. IUPAC: 1,3-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one.
Chemical Property Profile of 1,3-Dihydroxyestra-1(10),2,4-trien-17-one
Property Insights of 1,3-Dihydroxyestra-1(10),2,4-trien-17-one
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dihydroxyestra-1(10),2,4-trien-17-one. With a topological polar surface area (TPSA) of 57.5 Ų, 1,3-Dihydroxyestra-1(10),2,4-trien-17-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dihydroxyestra-1(10),2,4-trien-17-one 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 1,3-Dihydroxyestra-1(10),2,4-trien-17-one?
The CAS number of 1,3-Dihydroxyestra-1(10),2,4-trien-17-one is 60966-54-3.
What is the molecular formula of 1,3-Dihydroxyestra-1(10),2,4-trien-17-one?
The molecular formula of 1,3-Dihydroxyestra-1(10),2,4-trien-17-one is C18H22O3.
What is the molecular weight of 1,3-Dihydroxyestra-1(10),2,4-trien-17-one?
The molecular weight of 1,3-Dihydroxyestra-1(10),2,4-trien-17-one is 286.16 g/mol.
Where can I buy 1,3-Dihydroxyestra-1(10),2,4-trien-17-one?
You can request a quote for 1,3-Dihydroxyestra-1(10),2,4-trien-17-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dihydroxyestra-1(10),2,4-trien-17-one?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dihydroxyestra-1(10),2,4-trien-17-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.