CBKinase1_011103
TL;DR: CBKinase1_011103 (CAS 791806-13-8) is a chemical compound with molecular formula C16H11N7S and molecular weight 333.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(benzimidazol-1-ylmethyl)-6-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: CBKinase1_011103, CBKinase1_023503, 1-{[6-(3-pyridinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-benzimidazole, 3-(benzimidazol-1-ylmethyl)-6-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, AO-365/43113365
| Molecular Formula | C16H11N7S |
|---|---|
| Molecular Weight | 333.08 g/mol |
| LogP | 2.6458 |
| Topological Polar Surface Area | 73.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 333.07965 |
| Heavy Atoms | 24 |
| Complexity | 1139.109 |
Chemical Identifiers
| CAS Number | 791806-13-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=CN2CC3=NN=C4N3N=C(S4)C5=CN=CC=C5 |
Product Overview
CBKinase1_011103 (CAS 791806-13-8), with molecular formula C16H11N7S and molecular weight 333.08 g/mol. IUPAC: 3-(benzimidazol-1-ylmethyl)-6-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
Chemical Property Profile of CBKinase1_011103
Property Insights of CBKinase1_011103
The XLogP value of 2.6458 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_011103. The TPSA of 73.79 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_011103. Following Lipinski's Rule of Five, CBKinase1_011103 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 CBKinase1_011103?
The CAS number of CBKinase1_011103 is 791806-13-8.
What is the molecular formula of CBKinase1_011103?
The molecular formula of CBKinase1_011103 is C16H11N7S.
What is the molecular weight of CBKinase1_011103?
The molecular weight of CBKinase1_011103 is 333.08 g/mol.
Where can I buy CBKinase1_011103?
You can request a quote for CBKinase1_011103 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_011103?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_011103 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.