CBKinase1_008586
TL;DR: CBKinase1_008586 (CAS 710983-08-7) is a chemical compound with molecular formula C18H16ClN5S and molecular weight 369.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(3-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole
Also Known As: CBKinase1_008586, CBKinase1_020986, BRD-K97192103-001-01-8, 2-[[5-(3-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole, 3-(benzimidazol-2-ylmethylthio)-5-(3-chlorophenyl)-4-ethyl-1,2,4-triazole
| Molecular Formula | C18H16ClN5S |
|---|---|
| Molecular Weight | 369.08 g/mol |
| LogP | 4.787 |
| Topological Polar Surface Area | 59.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 369.08148 |
| Heavy Atoms | 25 |
| Complexity | 990.16864 |
Chemical Identifiers
| CAS Number | 710983-08-7 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC2=NC3=CC=CC=C3N2)C4=CC(=CC=C4)Cl |
Product Overview
CBKinase1_008586 (CAS 710983-08-7), with molecular formula C18H16ClN5S and molecular weight 369.08 g/mol. IUPAC: 2-[[5-(3-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole.
Chemical Property Profile of CBKinase1_008586
Property Insights of CBKinase1_008586
The XLogP value of 4.787 indicates that CBKinase1_008586 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.39 Ų, CBKinase1_008586 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CBKinase1_008586 has 1 hydrogen bond donor(s) and 4 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_008586?
The CAS number of CBKinase1_008586 is 710983-08-7.
What is the molecular formula of CBKinase1_008586?
The molecular formula of CBKinase1_008586 is C18H16ClN5S.
What is the molecular weight of CBKinase1_008586?
The molecular weight of CBKinase1_008586 is 369.08 g/mol.
Where can I buy CBKinase1_008586?
You can request a quote for CBKinase1_008586 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_008586?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_008586 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.