KST-1B7110
TL;DR: KST-1B7110 (CAS 6629-68-1) is a chemical compound with molecular formula C17H15ClN4OS and molecular weight 358.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[9-(2-chlorophenyl)-13-methyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-4-yl]ethanol
Also Known As: KST-1B7110, 1-[6-(2-chlorophenyl)-9-methyl-6h-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-2-yl]ethanol, 6-(2-Chlorophenyl)-8-(1-hydroxyethyl)-1-methyl-4-triazolo-3,4-thieno-(2,3-e)(1,4) diazepine
| Molecular Formula | C17H15ClN4OS |
|---|---|
| Molecular Weight | 358.07 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 91.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 358.06552 |
| Heavy Atoms | 24 |
| Complexity | 495.0 |
Chemical Identifiers
| CAS Number | 6629-68-1 |
|---|---|
| SMILES | CC1=NN=C2N1C3=C(C=C(S3)C(C)O)C=NC2C4=CC=CC=C4Cl |
| InChIKey | BTGCWXDWJAGZML-UHFFFAOYSA-N |
Product Overview
KST-1B7110 (CAS 6629-68-1), with molecular formula C17H15ClN4OS and molecular weight 358.07 g/mol. IUPAC: 1-[9-(2-chlorophenyl)-13-methyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-4-yl]ethanol.
Chemical Property Profile of KST-1B7110
Property Insights of KST-1B7110
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for KST-1B7110. The TPSA of 91.5 Ų falls within the moderate polarity range, balancing permeability and solubility for KST-1B7110. Following Lipinski's Rule of Five, KST-1B7110 has 1 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-1B7110?
The CAS number of KST-1B7110 is 6629-68-1.
What is the molecular formula of KST-1B7110?
The molecular formula of KST-1B7110 is C17H15ClN4OS.
What is the molecular weight of KST-1B7110?
The molecular weight of KST-1B7110 is 358.07 g/mol.
Where can I buy KST-1B7110?
You can request a quote for KST-1B7110 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1B7110?
Yes, KEHONG BIO provides custom synthesis services for KST-1B7110 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.