ChemDiv3_015782
TL;DR: ChemDiv3_015782 (CAS 791806-00-3) 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-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: ChemDiv3_015782, CBKinase1_011126, CBKinase1_023526, 1-[(6-benzyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)methyl]-1H-benzimidazole, 3-(benzimidazol-1-ylmethyl)-6-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
| Molecular Formula | C18H14N6S |
|---|---|
| Molecular Weight | 346.10 g/mol |
| LogP | 3.1746 |
| Topological Polar Surface Area | 60.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 346.10007 |
| Heavy Atoms | 25 |
| Complexity | 1154.2014 |
Chemical Identifiers
| CAS Number | 791806-00-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=NN3C(=NN=C3S2)CN4C=NC5=CC=CC=C54 |
Product Overview
ChemDiv3_015782 (CAS 791806-00-3), with molecular formula C18H14N6S and molecular weight 346.10 g/mol. IUPAC: 3-(benzimidazol-1-ylmethyl)-6-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
Chemical Property Profile of ChemDiv3_015782
Property Insights of ChemDiv3_015782
The XLogP value of 3.1746 indicates that ChemDiv3_015782 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 ChemDiv3_015782. Following Lipinski's Rule of Five, ChemDiv3_015782 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 ChemDiv3_015782?
The CAS number of ChemDiv3_015782 is 791806-00-3.
What is the molecular formula of ChemDiv3_015782?
The molecular formula of ChemDiv3_015782 is C18H14N6S.
What is the molecular weight of ChemDiv3_015782?
The molecular weight of ChemDiv3_015782 is 346.10 g/mol.
Where can I buy ChemDiv3_015782?
You can request a quote for ChemDiv3_015782 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_015782?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_015782 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.