KST-1A9222
TL;DR: KST-1A9222 (CAS 98205-62-0) is a chemical compound with molecular formula C40H50O4 and molecular weight 594.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,9S,10R,13S,14S,17S)-17-hydroxy-17-[4-[(8R,9S,10R,13S,14S,17S)-17-hydroxy-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]buta-1,3-diynyl]-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
Also Known As: KST-1A9222, (17, A,17', A)-17,17'-buta-1,3-diyne-1,4-diylbis(17-hydroxyestr-4-en-3-one), (8R,9S,10R,13S,14S,17S)-17-hydroxy-17-[4-[(8R,9S,10R,13S,14S,17S)-17-hydroxy-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]buta-1,3-diynyl]-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
| Molecular Formula | C40H50O4 |
|---|---|
| Molecular Weight | 594.37 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 594.3709 |
| Heavy Atoms | 44 |
| Complexity | 1380.0 |
Chemical Identifiers
| CAS Number | 98205-62-0 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#CC#C[C@@]4(CC[C@@H]5[C@@]4(CC[C@H]6[C@H]5CCC7=CC(=O)CC[C@H]67)C)O)O)CCC8=CC(=O)CC[C@H]38 |
| InChIKey | QCVMXRWFSHJDBR-CQIDRNCPSA-N |
Product Overview
KST-1A9222 (CAS 98205-62-0), with molecular formula C40H50O4 and molecular weight 594.37 g/mol. IUPAC: (8R,9S,10R,13S,14S,17S)-17-hydroxy-17-[4-[(8R,9S,10R,13S,14S,17S)-17-hydroxy-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]buta-1,3-diynyl]-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one.
Chemical Property Profile of KST-1A9222
Property Insights of KST-1A9222
The XLogP value of 5.7 indicates that KST-1A9222 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for KST-1A9222. Following Lipinski's Rule of Five, KST-1A9222 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of KST-1A9222?
The CAS number of KST-1A9222 is 98205-62-0.
What is the molecular formula of KST-1A9222?
The molecular formula of KST-1A9222 is C40H50O4.
What is the molecular weight of KST-1A9222?
The molecular weight of KST-1A9222 is 594.37 g/mol.
Where can I buy KST-1A9222?
You can request a quote for KST-1A9222 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1A9222?
Yes, KEHONG BIO provides custom synthesis services for KST-1A9222 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.