2-Hydroxymethylene Ethisterone
TL;DR: 2-Hydroxymethylene Ethisterone (CAS 2787-02-2) is a chemical compound with molecular formula C22H28O3 and molecular weight 340.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,9S,10R,13S,14S,17R)-17-ethynyl-17-hydroxy-2-(hydroxymethylidene)-10,13-dimethyl-1,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
Also Known As: 2-Hydroxymethylene Ethisterone, EC 220-513-5, 17alpha-Hydroxy-2-(hydroxymethylene)pregn-4-en-20-yn-3-one
| Molecular Formula | C22H28O3 |
|---|---|
| Molecular Weight | 340.20 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 340.20386 |
| Heavy Atoms | 25 |
| Complexity | 738.0 |
Chemical Identifiers
| CAS Number | 2787-02-2 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC(=O)C(=CO)C[C@]34C |
| InChIKey | FYEOMZSZJFOTGQ-LHZXLZLDSA-N |
Product Overview
2-Hydroxymethylene Ethisterone (CAS 2787-02-2), with molecular formula C22H28O3 and molecular weight 340.20 g/mol. IUPAC: (8R,9S,10R,13S,14S,17R)-17-ethynyl-17-hydroxy-2-(hydroxymethylidene)-10,13-dimethyl-1,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one.
Chemical Property Profile of 2-Hydroxymethylene Ethisterone
Property Insights of 2-Hydroxymethylene Ethisterone
The XLogP value of 3.9 indicates that 2-Hydroxymethylene Ethisterone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, 2-Hydroxymethylene Ethisterone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Hydroxymethylene Ethisterone 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 2-Hydroxymethylene Ethisterone?
The CAS number of 2-Hydroxymethylene Ethisterone is 2787-02-2.
What is the molecular formula of 2-Hydroxymethylene Ethisterone?
The molecular formula of 2-Hydroxymethylene Ethisterone is C22H28O3.
What is the molecular weight of 2-Hydroxymethylene Ethisterone?
The molecular weight of 2-Hydroxymethylene Ethisterone is 340.20 g/mol.
Where can I buy 2-Hydroxymethylene Ethisterone?
You can request a quote for 2-Hydroxymethylene Ethisterone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hydroxymethylene Ethisterone?
Yes, KEHONG BIO provides custom synthesis services for 2-Hydroxymethylene Ethisterone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.