2-Methylestra-4,9-dien-3-one-17-ol
TL;DR: 2-Methylestra-4,9-dien-3-one-17-ol (CAS 105802-53-7) is a chemical compound with molecular formula C19H26O2 and molecular weight 286.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,8S,13S,14S,17S)-17-hydroxy-2,13-dimethyl-2,6,7,8,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one
Also Known As: MEDOO, 2-Methylestra-4,9-dien-3-one-17-ol, 17-Hydroxy-2-methylestra-4,9-dien-3-one, 17beta-Hydroxy-2beta-methylestra-4,9-dien-3-one, (2S,8S,13S,14S,17S)-17-hydroxy-2,13-dimethyl-2,6,7,8,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one
| Molecular Formula | C19H26O2 |
|---|---|
| Molecular Weight | 286.19 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 286.19327 |
| Heavy Atoms | 21 |
| Complexity | 556.0 |
Chemical Identifiers
| CAS Number | 105802-53-7 |
|---|---|
| SMILES | C[C@H]1CC2=C3CC[C@]4([C@H]([C@@H]3CCC2=CC1=O)CC[C@@H]4O)C |
| InChIKey | KAGBQXKUBZNZQX-UNSFVYSISA-N |
Product Overview
2-Methylestra-4,9-dien-3-one-17-ol (CAS 105802-53-7), with molecular formula C19H26O2 and molecular weight 286.19 g/mol. IUPAC: (2S,8S,13S,14S,17S)-17-hydroxy-2,13-dimethyl-2,6,7,8,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one.
Chemical Property Profile of 2-Methylestra-4,9-dien-3-one-17-ol
Property Insights of 2-Methylestra-4,9-dien-3-one-17-ol
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methylestra-4,9-dien-3-one-17-ol. With a topological polar surface area (TPSA) of 37.3 Ų, 2-Methylestra-4,9-dien-3-one-17-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methylestra-4,9-dien-3-one-17-ol 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 2-Methylestra-4,9-dien-3-one-17-ol?
The CAS number of 2-Methylestra-4,9-dien-3-one-17-ol is 105802-53-7.
What is the molecular formula of 2-Methylestra-4,9-dien-3-one-17-ol?
The molecular formula of 2-Methylestra-4,9-dien-3-one-17-ol is C19H26O2.
What is the molecular weight of 2-Methylestra-4,9-dien-3-one-17-ol?
The molecular weight of 2-Methylestra-4,9-dien-3-one-17-ol is 286.19 g/mol.
Where can I buy 2-Methylestra-4,9-dien-3-one-17-ol?
You can request a quote for 2-Methylestra-4,9-dien-3-one-17-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methylestra-4,9-dien-3-one-17-ol?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylestra-4,9-dien-3-one-17-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.