3-methoxy-1-methylestra-1,3,5(10),6-tetraen-17-one
TL;DR: 3-methoxy-1-methylestra-1,3,5(10),6-tetraen-17-one (CAS 6960-01-6) is a chemical compound with molecular formula C20H24O2 and molecular weight 296.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,9S,13S,14S)-3-methoxy-1,13-dimethyl-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-17-one
Also Known As: 3-methoxy-1-methylestra-1,3,5(10),6-tetraen-17-one, (8R,9S,13S,14S)-3-methoxy-1,13-dimethyl-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-17-one, Estra-1,3,5(10),6-tetraen-17-one,3-methoxy-1-methyl- (7CI,8CI,9CI)
| Molecular Formula | C20H24O2 |
|---|---|
| Molecular Weight | 296.18 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 296.17764 |
| Heavy Atoms | 22 |
| Complexity | 496.0 |
Chemical Identifiers
| CAS Number | 6960-01-6 |
|---|---|
| SMILES | CC1=CC(=CC2=C1[C@H]3CC[C@]4([C@H]([C@@H]3C=C2)CCC4=O)C)OC |
| InChIKey | ODMMIYCXIKSEIR-YLAKUSLOSA-N |
Product Overview
3-methoxy-1-methylestra-1,3,5(10),6-tetraen-17-one (CAS 6960-01-6), with molecular formula C20H24O2 and molecular weight 296.18 g/mol. IUPAC: (8R,9S,13S,14S)-3-methoxy-1,13-dimethyl-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-17-one.
Chemical Property Profile of 3-methoxy-1-methylestra-1,3,5(10),6-tetraen-17-one
Property Insights of 3-methoxy-1-methylestra-1,3,5(10),6-tetraen-17-one
The XLogP value of 4.1 indicates that 3-methoxy-1-methylestra-1,3,5(10),6-tetraen-17-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 3-methoxy-1-methylestra-1,3,5(10),6-tetraen-17-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-methoxy-1-methylestra-1,3,5(10),6-tetraen-17-one has 0 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-methoxy-1-methylestra-1,3,5(10),6-tetraen-17-one?
The CAS number of 3-methoxy-1-methylestra-1,3,5(10),6-tetraen-17-one is 6960-01-6.
What is the molecular formula of 3-methoxy-1-methylestra-1,3,5(10),6-tetraen-17-one?
The molecular formula of 3-methoxy-1-methylestra-1,3,5(10),6-tetraen-17-one is C20H24O2.
What is the molecular weight of 3-methoxy-1-methylestra-1,3,5(10),6-tetraen-17-one?
The molecular weight of 3-methoxy-1-methylestra-1,3,5(10),6-tetraen-17-one is 296.18 g/mol.
Where can I buy 3-methoxy-1-methylestra-1,3,5(10),6-tetraen-17-one?
You can request a quote for 3-methoxy-1-methylestra-1,3,5(10),6-tetraen-17-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methoxy-1-methylestra-1,3,5(10),6-tetraen-17-one?
Yes, KEHONG BIO provides custom synthesis services for 3-methoxy-1-methylestra-1,3,5(10),6-tetraen-17-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.