KST-1A3929
TL;DR: KST-1A3929 (CAS 33695-22-6) is a chemical compound with molecular formula C27H39ClO9 and molecular weight 542.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(3S,5S,8R,9S,10R,13R,14S,17R)-3-acetyloxy-10-(acetyloxymethyl)-5,14-dihydroxy-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2-chloroacetate
Also Known As: KST-1A3929, 14-beta,17-alpha-Pregnan-20-one, 3-beta,5-beta,14,19,21-pentahydroxy-, 21-chloroacetate, 3,19-diacetate, Cyclohexyl-2 carboxy-4 tetrahydro-4,5,6,7 benzothiazole, 4,5,6,7-Tetrahydro-2-cyclohexyl-4-benzothiazolecarboxylic acid, (3
| Molecular Formula | C27H39ClO9 |
|---|---|
| Molecular Weight | 542.23 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 136.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 542.2283 |
| Heavy Atoms | 37 |
| Complexity | 954.0 |
Chemical Identifiers
| CAS Number | 33695-22-6 |
|---|---|
| SMILES | CC(=O)OC[C@]12CC[C@@H](C[C@]1(CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@H]4C(=O)COC(=O)CCl)O)C)O)OC(=O)C |
| InChIKey | KGXNGYJKSIVBJG-YKJLZJSLSA-N |
Product Overview
KST-1A3929 (CAS 33695-22-6), with molecular formula C27H39ClO9 and molecular weight 542.23 g/mol. IUPAC: [2-[(3S,5S,8R,9S,10R,13R,14S,17R)-3-acetyloxy-10-(acetyloxymethyl)-5,14-dihydroxy-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2-chloroacetate.
Chemical Property Profile of KST-1A3929
Property Insights of KST-1A3929
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for KST-1A3929. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for KST-1A3929. Following Lipinski's Rule of Five, KST-1A3929 has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of KST-1A3929?
The CAS number of KST-1A3929 is 33695-22-6.
What is the molecular formula of KST-1A3929?
The molecular formula of KST-1A3929 is C27H39ClO9.
What is the molecular weight of KST-1A3929?
The molecular weight of KST-1A3929 is 542.23 g/mol.
Where can I buy KST-1A3929?
You can request a quote for KST-1A3929 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1A3929?
Yes, KEHONG BIO provides custom synthesis services for KST-1A3929 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.