BAS 14602183
TL;DR: BAS 14602183 (CAS 810686-75-0) is a chemical compound with molecular formula C17H12ClN5OS2 and molecular weight 401.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-1H-1,2,4-triazol-3-yl]-4-chlorobenzamide
Also Known As: BAS 14602183, N-{5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-1H-1,2,4-triazol-3-yl}-4-chlorobenzamide, N-(5-((benzo[d]thiazol-2-ylthio)methyl)-1H-1,2,4-triazol-3-yl)-4-chlorobenzamide, N-[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-1H-1,2,4-triazol-3-yl]-4-chlorobenzamide, N-[5-(benzothiazol-2-ylthiomethyl)(1H-1,2,4-triazol-3-yl)](4-chlorophenyl)carb oxamide
| Molecular Formula | C17H12ClN5OS2 |
|---|---|
| Molecular Weight | 401.02 g/mol |
| LogP | 4.6124 |
| Topological Polar Surface Area | 83.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 401.01718 |
| Heavy Atoms | 26 |
| Complexity | 1027.4086 |
Chemical Identifiers
| CAS Number | 810686-75-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)SCC3=NC(=NN3)NC(=O)C4=CC=C(C=C4)Cl |
Product Overview
BAS 14602183 (CAS 810686-75-0), with molecular formula C17H12ClN5OS2 and molecular weight 401.02 g/mol. IUPAC: N-[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-1H-1,2,4-triazol-3-yl]-4-chlorobenzamide.
Chemical Property Profile of BAS 14602183
Property Insights of BAS 14602183
The XLogP value of 4.6124 indicates that BAS 14602183 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.56 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 14602183. Following Lipinski's Rule of Five, BAS 14602183 has 2 hydrogen bond donor(s) and 6 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 BAS 14602183?
The CAS number of BAS 14602183 is 810686-75-0.
What is the molecular formula of BAS 14602183?
The molecular formula of BAS 14602183 is C17H12ClN5OS2.
What is the molecular weight of BAS 14602183?
The molecular weight of BAS 14602183 is 401.02 g/mol.
Where can I buy BAS 14602183?
You can request a quote for BAS 14602183 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 14602183?
Yes, KEHONG BIO provides custom synthesis services for BAS 14602183 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.