17-(Acetyloxy)androst-2-ene-2-carboxylic acid
TL;DR: 17-(Acetyloxy)androst-2-ene-2-carboxylic acid (CAS 1201-56-5) is a chemical compound with molecular formula C22H32O4 and molecular weight 360.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5S,8R,9S,10S,13S,14S,17S)-17-acetyloxy-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-2-carboxylic acid
Also Known As: KST-1A0868, 17-(Acetyloxy)androst-2-ene-2-carboxylic acid, (3r,4r)-3,4-dihydrodibenzo[a,h]acridine-3,4-diol, (5, A,17
| Molecular Formula | C22H32O4 |
|---|---|
| Molecular Weight | 360.23 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 360.23007 |
| Heavy Atoms | 26 |
| Complexity | 653.0 |
Chemical Identifiers
| CAS Number | 1201-56-5 |
|---|---|
| SMILES | CC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC(=CC4)C(=O)O)C)C |
| InChIKey | GBQYYMYMCZFUMS-WZYQIZRJSA-N |
Product Overview
17-(Acetyloxy)androst-2-ene-2-carboxylic acid (CAS 1201-56-5), with molecular formula C22H32O4 and molecular weight 360.23 g/mol. IUPAC: (5S,8R,9S,10S,13S,14S,17S)-17-acetyloxy-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-2-carboxylic acid.
Chemical Property Profile of 17-(Acetyloxy)androst-2-ene-2-carboxylic acid
Property Insights of 17-(Acetyloxy)androst-2-ene-2-carboxylic acid
The XLogP value of 4.9 indicates that 17-(Acetyloxy)androst-2-ene-2-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 17-(Acetyloxy)androst-2-ene-2-carboxylic acid. Following Lipinski's Rule of Five, 17-(Acetyloxy)androst-2-ene-2-carboxylic acid has 1 hydrogen bond donor(s) and 4 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-(Acetyloxy)androst-2-ene-2-carboxylic acid?
The CAS number of 17-(Acetyloxy)androst-2-ene-2-carboxylic acid is 1201-56-5.
What is the molecular formula of 17-(Acetyloxy)androst-2-ene-2-carboxylic acid?
The molecular formula of 17-(Acetyloxy)androst-2-ene-2-carboxylic acid is C22H32O4.
What is the molecular weight of 17-(Acetyloxy)androst-2-ene-2-carboxylic acid?
The molecular weight of 17-(Acetyloxy)androst-2-ene-2-carboxylic acid is 360.23 g/mol.
Where can I buy 17-(Acetyloxy)androst-2-ene-2-carboxylic acid?
You can request a quote for 17-(Acetyloxy)androst-2-ene-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17-(Acetyloxy)androst-2-ene-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 17-(Acetyloxy)androst-2-ene-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.