BAS 10124076
TL;DR: BAS 10124076 (CAS 876712-40-2) is a chemical compound with molecular formula C18H14N6S and molecular weight 346.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(benzimidazol-1-ylmethyl)-6-(4-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: BAS 10124076, J3.268.151D, 3-(benzimidazol-1-ylmethyl)-6-(4-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 1-{[6-(4-METHYLPHENYL)-[1,2,4]TRIAZOLO[3,4-B][1,3,4]THIADIAZOL-3-YL]METHYL}-1H-1,3-BENZODIAZOLE, 4-(1H-Benzoimidazole-1-ylmethyl)-2-p-tolyl-1-thia-3,3a,5,6-tetraazapentalene
| Molecular Formula | C18H14N6S |
|---|---|
| Molecular Weight | 346.10 g/mol |
| LogP | 3.55922 |
| Topological Polar Surface Area | 60.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 346.10007 |
| Heavy Atoms | 25 |
| Complexity | 1181.4432 |
Chemical Identifiers
| CAS Number | 876712-40-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN3C(=NN=C3S2)CN4C=NC5=CC=CC=C54 |
Product Overview
BAS 10124076 (CAS 876712-40-2), with molecular formula C18H14N6S and molecular weight 346.10 g/mol. IUPAC: 3-(benzimidazol-1-ylmethyl)-6-(4-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
Chemical Property Profile of BAS 10124076
Property Insights of BAS 10124076
The XLogP value of 3.55922 indicates that BAS 10124076 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.9 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 10124076. Following Lipinski's Rule of Five, BAS 10124076 has 0 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 BAS 10124076?
The CAS number of BAS 10124076 is 876712-40-2.
What is the molecular formula of BAS 10124076?
The molecular formula of BAS 10124076 is C18H14N6S.
What is the molecular weight of BAS 10124076?
The molecular weight of BAS 10124076 is 346.10 g/mol.
Where can I buy BAS 10124076?
You can request a quote for BAS 10124076 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 10124076?
Yes, KEHONG BIO provides custom synthesis services for BAS 10124076 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.