BAS 10124236
TL;DR: BAS 10124236 (CAS 876712-55-9) is a chemical compound with molecular formula C17H12ClN7S and molecular weight 381.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(benzotriazol-1-ylmethyl)-6-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: BAS 10124236, 3-(benzotriazol-1-ylmethyl)-6-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 3-(benzotriazol-1-ylmethyl)-6-(4-chlorobenzyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 1-{[6-(4-chlorobenzyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-benzotriazole, 3-((1H-benzo[d][1,2,3]triazol-1-yl)methyl)-6-(4-chlorobenzyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
| Molecular Formula | C17H12ClN7S |
|---|---|
| Molecular Weight | 381.06 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 381.05634 |
| Heavy Atoms | 26 |
| Complexity | 492.0 |
Chemical Identifiers
| CAS Number | 876712-55-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=NN2CC3=NN=C4N3N=C(S4)CC5=CC=C(C=C5)Cl |
| InChIKey | AICXERJZAYCHGW-UHFFFAOYSA-N |
Product Overview
BAS 10124236 (CAS 876712-55-9), with molecular formula C17H12ClN7S and molecular weight 381.06 g/mol. IUPAC: 3-(benzotriazol-1-ylmethyl)-6-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
Chemical Property Profile of BAS 10124236
Property Insights of BAS 10124236
The XLogP value of 3.7 indicates that BAS 10124236 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 10124236. Following Lipinski's Rule of Five, BAS 10124236 has 0 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 10124236?
The CAS number of BAS 10124236 is 876712-55-9.
What is the molecular formula of BAS 10124236?
The molecular formula of BAS 10124236 is C17H12ClN7S.
What is the molecular weight of BAS 10124236?
The molecular weight of BAS 10124236 is 381.06 g/mol.
Where can I buy BAS 10124236?
You can request a quote for BAS 10124236 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 10124236?
Yes, KEHONG BIO provides custom synthesis services for BAS 10124236 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.