CBKinase1_008724
TL;DR: CBKinase1_008724 (CAS 573707-75-2) is a chemical compound with molecular formula C21H15ClN6S and molecular weight 418.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole
Also Known As: CBKinase1_008724, CBKinase1_021124, 1H-BENZIMIDAZOL-2-YLMETHYL 4-(4-CHLOROPHENYL)-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL SULFIDE, BRD-K87845209-001-01-6, 2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole
| Molecular Formula | C21H15ClN6S |
|---|---|
| Molecular Weight | 418.08 g/mol |
| LogP | 5.1513 |
| Topological Polar Surface Area | 72.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 418.07675 |
| Heavy Atoms | 29 |
| Complexity | 1230.5912 |
Chemical Identifiers
| CAS Number | 573707-75-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=N2)CSC3=NN=C(N3C4=CC=C(C=C4)Cl)C5=CC=NC=C5 |
Product Overview
CBKinase1_008724 (CAS 573707-75-2), with molecular formula C21H15ClN6S and molecular weight 418.08 g/mol. IUPAC: 2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole.
Chemical Property Profile of CBKinase1_008724
Property Insights of CBKinase1_008724
The XLogP value of 5.1513 indicates that CBKinase1_008724 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.28 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_008724. Following Lipinski's Rule of Five, CBKinase1_008724 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CBKinase1_008724?
The CAS number of CBKinase1_008724 is 573707-75-2.
What is the molecular formula of CBKinase1_008724?
The molecular formula of CBKinase1_008724 is C21H15ClN6S.
What is the molecular weight of CBKinase1_008724?
The molecular weight of CBKinase1_008724 is 418.08 g/mol.
Where can I buy CBKinase1_008724?
You can request a quote for CBKinase1_008724 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_008724?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_008724 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.