17-(Hydroxymethyl)estra-4,14-dien-3-one
TL;DR: 17-(Hydroxymethyl)estra-4,14-dien-3-one (CAS 126208-87-5) 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.
(8R,9R,10R,13R,17S)-17-(hydroxymethyl)-13-methyl-2,6,7,8,9,10,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one
Also Known As: 17-(Hydroxymethyl)estra-4,14-dien-3-one, 17beta-(Hydroxymethyl)estra-4,14-dien-3-one, (8R,9R,10R,13R,17S)-17-(hydroxymethyl)-13-methyl-2,6,7,8,9,10,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one, (8R,9R,10R,13R,17S)-17-(hydroxymethyl)-13-methyl-2,6,7,8,9,10,11,12,16,17-decahydro-1H-cyclopenta(a)phenanthren-3-one
| Molecular Formula | C19H26O2 |
|---|---|
| Molecular Weight | 286.19 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 286.19327 |
| Heavy Atoms | 21 |
| Complexity | 530.0 |
Chemical Identifiers
| CAS Number | 126208-87-5 |
|---|---|
| SMILES | C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3C1=CC[C@@H]2CO |
| InChIKey | BUWHLWXGIPUGJM-PVEBQJOJSA-N |
Product Overview
17-(Hydroxymethyl)estra-4,14-dien-3-one (CAS 126208-87-5), with molecular formula C19H26O2 and molecular weight 286.19 g/mol. IUPAC: (8R,9R,10R,13R,17S)-17-(hydroxymethyl)-13-methyl-2,6,7,8,9,10,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one.
Chemical Property Profile of 17-(Hydroxymethyl)estra-4,14-dien-3-one
Property Insights of 17-(Hydroxymethyl)estra-4,14-dien-3-one
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 17-(Hydroxymethyl)estra-4,14-dien-3-one. With a topological polar surface area (TPSA) of 37.3 Ų, 17-(Hydroxymethyl)estra-4,14-dien-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 17-(Hydroxymethyl)estra-4,14-dien-3-one 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 17-(Hydroxymethyl)estra-4,14-dien-3-one?
The CAS number of 17-(Hydroxymethyl)estra-4,14-dien-3-one is 126208-87-5.
What is the molecular formula of 17-(Hydroxymethyl)estra-4,14-dien-3-one?
The molecular formula of 17-(Hydroxymethyl)estra-4,14-dien-3-one is C19H26O2.
What is the molecular weight of 17-(Hydroxymethyl)estra-4,14-dien-3-one?
The molecular weight of 17-(Hydroxymethyl)estra-4,14-dien-3-one is 286.19 g/mol.
Where can I buy 17-(Hydroxymethyl)estra-4,14-dien-3-one?
You can request a quote for 17-(Hydroxymethyl)estra-4,14-dien-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17-(Hydroxymethyl)estra-4,14-dien-3-one?
Yes, KEHONG BIO provides custom synthesis services for 17-(Hydroxymethyl)estra-4,14-dien-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.