4ijl
TL;DR: 4ijl (CAS 326007-60-7) is a chemical compound with molecular formula C18H12ClN3O2S2 and molecular weight 401.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(3-chloro-1-benzothiophen-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
Also Known As: 4ijl, CBKinase1_001094, CBKinase1_013494, BIM-0002700.P001, AF-399/14425009
| Molecular Formula | C18H12ClN3O2S2 |
|---|---|
| Molecular Weight | 401.01 g/mol |
| LogP | 4.9791 |
| Topological Polar Surface Area | 68.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 401.00595 |
| Heavy Atoms | 26 |
| Complexity | 1092.4707 |
Chemical Identifiers
| CAS Number | 326007-60-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)O)C3=C(C4=CC=CC=C4S3)Cl |
Product Overview
4ijl (CAS 326007-60-7), with molecular formula C18H12ClN3O2S2 and molecular weight 401.01 g/mol. IUPAC: 2-[[5-(3-chloro-1-benzothiophen-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid.
Chemical Property Profile of 4ijl
Property Insights of 4ijl
The XLogP value of 4.9791 indicates that 4ijl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 4ijl. Following Lipinski's Rule of Five, 4ijl has 1 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 4ijl?
The CAS number of 4ijl is 326007-60-7.
What is the molecular formula of 4ijl?
The molecular formula of 4ijl is C18H12ClN3O2S2.
What is the molecular weight of 4ijl?
The molecular weight of 4ijl is 401.01 g/mol.
Where can I buy 4ijl?
You can request a quote for 4ijl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4ijl?
Yes, KEHONG BIO provides custom synthesis services for 4ijl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.