BAS 13776332
TL;DR: BAS 13776332 (CAS 878441-71-5) is a chemical compound with molecular formula C21H15ClN6S and molecular weight 418.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-chlorophenyl)-3-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione
Also Known As: BAS 13776332, A4019/0171415, 4-(2-chlorophenyl)-5-((2-(pyridin-2-yl)-1H-benzo[d]imidazol-1-yl)methyl)-4H-1,2,4-triazole-3-thiol, 4-(2-chlorophenyl)-5-[(2-(2-pyridyl)benzimidazolyl)methyl]-1,2,4-triazole-3-th iol, 4-(2-chlorophenyl)-3-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione
| Molecular Formula | C21H15ClN6S |
|---|---|
| Molecular Weight | 418.08 g/mol |
| LogP | 5.04329 |
| Topological Polar Surface Area | 64.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 418.07675 |
| Heavy Atoms | 29 |
| Complexity | 1368.984 |
Chemical Identifiers
| CAS Number | 878441-71-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(N2CC3=NNC(=S)N3C4=CC=CC=C4Cl)C5=CC=CC=N5 |
Product Overview
BAS 13776332 (CAS 878441-71-5), with molecular formula C21H15ClN6S and molecular weight 418.08 g/mol. IUPAC: 4-(2-chlorophenyl)-3-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of BAS 13776332
Property Insights of BAS 13776332
The XLogP value of 5.04329 indicates that BAS 13776332 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.32 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 13776332. Following Lipinski's Rule of Five, BAS 13776332 has 1 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 BAS 13776332?
The CAS number of BAS 13776332 is 878441-71-5.
What is the molecular formula of BAS 13776332?
The molecular formula of BAS 13776332 is C21H15ClN6S.
What is the molecular weight of BAS 13776332?
The molecular weight of BAS 13776332 is 418.08 g/mol.
Where can I buy BAS 13776332?
You can request a quote for BAS 13776332 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13776332?
Yes, KEHONG BIO provides custom synthesis services for BAS 13776332 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.