(2|A,17xi)-17-hydroxy-2-(hydroxymethyl)pregn-4-en-20-yn-3-one
TL;DR: (2|A,17xi)-17-hydroxy-2-(hydroxymethyl)pregn-4-en-20-yn-3-one (CAS 6955-07-3) is a chemical compound with molecular formula C22H30O3 and molecular weight 342.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,8R,9S,10R,13S,14S)-17-ethynyl-17-hydroxy-2-(hydroxymethyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
Also Known As: 17-Hydroxymethylethisterone, 2-(Hydroxymethyl)ethisterone, KST-1A0279, KST-1A0280, N,N-dimethyl-4-propan-2-ylbenzamide
| Molecular Formula | C22H30O3 |
|---|---|
| Molecular Weight | 342.22 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 342.21948 |
| Heavy Atoms | 25 |
| Complexity | 685.0 |
Chemical Identifiers
| CAS Number | 6955-07-3 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2(C#C)O)CCC4=CC(=O)[C@@H](C[C@]34C)CO |
| InChIKey | JGJFMZZHCOKXHX-RIONBYPISA-N |
Product Overview
(2|A,17xi)-17-hydroxy-2-(hydroxymethyl)pregn-4-en-20-yn-3-one (CAS 6955-07-3), with molecular formula C22H30O3 and molecular weight 342.22 g/mol. IUPAC: (2S,8R,9S,10R,13S,14S)-17-ethynyl-17-hydroxy-2-(hydroxymethyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one.
Chemical Property Profile of (2|A,17xi)-17-hydroxy-2-(hydroxymethyl)pregn-4-en-20-yn-3-one
Property Insights of (2|A,17xi)-17-hydroxy-2-(hydroxymethyl)pregn-4-en-20-yn-3-one
The XLogP value of 3.4 indicates that (2|A,17xi)-17-hydroxy-2-(hydroxymethyl)pregn-4-en-20-yn-3-one 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|A,17xi)-17-hydroxy-2-(hydroxymethyl)pregn-4-en-20-yn-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2|A,17xi)-17-hydroxy-2-(hydroxymethyl)pregn-4-en-20-yn-3-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 (2|A,17xi)-17-hydroxy-2-(hydroxymethyl)pregn-4-en-20-yn-3-one?
The CAS number of (2|A,17xi)-17-hydroxy-2-(hydroxymethyl)pregn-4-en-20-yn-3-one is 6955-07-3.
What is the molecular formula of (2|A,17xi)-17-hydroxy-2-(hydroxymethyl)pregn-4-en-20-yn-3-one?
The molecular formula of (2|A,17xi)-17-hydroxy-2-(hydroxymethyl)pregn-4-en-20-yn-3-one is C22H30O3.
What is the molecular weight of (2|A,17xi)-17-hydroxy-2-(hydroxymethyl)pregn-4-en-20-yn-3-one?
The molecular weight of (2|A,17xi)-17-hydroxy-2-(hydroxymethyl)pregn-4-en-20-yn-3-one is 342.22 g/mol.
Where can I buy (2|A,17xi)-17-hydroxy-2-(hydroxymethyl)pregn-4-en-20-yn-3-one?
You can request a quote for (2|A,17xi)-17-hydroxy-2-(hydroxymethyl)pregn-4-en-20-yn-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2|A,17xi)-17-hydroxy-2-(hydroxymethyl)pregn-4-en-20-yn-3-one?
Yes, KEHONG BIO provides custom synthesis services for (2|A,17xi)-17-hydroxy-2-(hydroxymethyl)pregn-4-en-20-yn-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.