KST-1A0512
TL;DR: KST-1A0512 (CAS 109875-13-0) is a chemical compound with molecular formula C22H34O5 and molecular weight 378.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,5R,8R,9S,10S,13R,14S,17S)-3-acetyloxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-17-carboxylic acid
Also Known As: KST-1A0512, A,14, A,17, 4(3H)-Quinazolinone,2-(4-methyl-1-piperazinyl)-3-phenyl, A)-3-(acetyloxy)-14-hydroxyandrostane-17-carboxylic acid
| Molecular Formula | C22H34O5 |
|---|---|
| Molecular Weight | 378.24 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 378.24063 |
| Heavy Atoms | 27 |
| Complexity | 647.0 |
Chemical Identifiers
| CAS Number | 109875-13-0 |
|---|---|
| SMILES | CC(=O)O[C@H]1CC[C@]2([C@@H](C1)CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4C(=O)O)O)C)C |
| InChIKey | DVBRYBUUEALGJL-PRCZZKRQSA-N |
Product Overview
KST-1A0512 (CAS 109875-13-0), with molecular formula C22H34O5 and molecular weight 378.24 g/mol. IUPAC: (3S,5R,8R,9S,10S,13R,14S,17S)-3-acetyloxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-17-carboxylic acid.
Chemical Property Profile of KST-1A0512
Property Insights of KST-1A0512
The XLogP value of 3.7 indicates that KST-1A0512 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for KST-1A0512. Following Lipinski's Rule of Five, KST-1A0512 has 2 hydrogen bond donor(s) and 5 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 KST-1A0512?
The CAS number of KST-1A0512 is 109875-13-0.
What is the molecular formula of KST-1A0512?
The molecular formula of KST-1A0512 is C22H34O5.
What is the molecular weight of KST-1A0512?
The molecular weight of KST-1A0512 is 378.24 g/mol.
Where can I buy KST-1A0512?
You can request a quote for KST-1A0512 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1A0512?
Yes, KEHONG BIO provides custom synthesis services for KST-1A0512 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.