BAS 10124078
TL;DR: BAS 10124078 (CAS 791805-91-9) is a chemical compound with molecular formula C21H20N6S and molecular weight 388.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(benzimidazol-1-ylmethyl)-6-(4-tert-butylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: BAS 10124078, 1-{[6-(4-tert-butylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-benzimidazole, 3-(benzimidazol-1-ylmethyl)-6-(4-tert-butylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, AO-365/43113319, 1-{[6-(4-TERT-BUTYLPHENYL)-[1,2,4]TRIAZOLO[3,4-B][1,3,4]THIADIAZOL-3-YL]METHYL}-1H-1,3-BENZODIAZOLE
| Molecular Formula | C21H20N6S |
|---|---|
| Molecular Weight | 388.15 g/mol |
| LogP | 4.5483 |
| Topological Polar Surface Area | 60.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 388.147 |
| Heavy Atoms | 28 |
| Complexity | 1269.9712 |
Chemical Identifiers
| CAS Number | 791805-91-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2=NN3C(=NN=C3S2)CN4C=NC5=CC=CC=C54 |
Product Overview
BAS 10124078 (CAS 791805-91-9), with molecular formula C21H20N6S and molecular weight 388.15 g/mol. IUPAC: 3-(benzimidazol-1-ylmethyl)-6-(4-tert-butylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
Chemical Property Profile of BAS 10124078
Property Insights of BAS 10124078
The XLogP value of 4.5483 indicates that BAS 10124078 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 10124078. Following Lipinski's Rule of Five, BAS 10124078 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 10124078?
The CAS number of BAS 10124078 is 791805-91-9.
What is the molecular formula of BAS 10124078?
The molecular formula of BAS 10124078 is C21H20N6S.
What is the molecular weight of BAS 10124078?
The molecular weight of BAS 10124078 is 388.15 g/mol.
Where can I buy BAS 10124078?
You can request a quote for BAS 10124078 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 10124078?
Yes, KEHONG BIO provides custom synthesis services for BAS 10124078 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.