A3918/0166672
TL;DR: A3918/0166672 (CAS 896066-08-3) is a chemical compound with molecular formula C23H18ClN5O3S and molecular weight 479.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-[[4-(4-chlorophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: A3918/0166672, methyl 4-(2-((4-(4-chlorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate, methyl 4-(2-{[4-(4-chlorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate, methyl 4-[({[4-(4-chlorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate, METHYL 4-[(2-{[4-(4-CHLOROPHENYL)-5-(3-PYRIDYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETYL)AMINO]BENZOATE
| Molecular Formula | C23H18ClN5O3S |
|---|---|
| Molecular Weight | 479.08 g/mol |
| LogP | 4.5001 |
| Topological Polar Surface Area | 99.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 479.08188 |
| Heavy Atoms | 33 |
| Complexity | 1261.7687 |
Chemical Identifiers
| CAS Number | 896066-08-3 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CN=CC=C4 |
Product Overview
A3918/0166672 (CAS 896066-08-3), with molecular formula C23H18ClN5O3S and molecular weight 479.08 g/mol. IUPAC: methyl 4-[[2-[[4-(4-chlorophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of A3918/0166672
Property Insights of A3918/0166672
The XLogP value of 4.5001 indicates that A3918/0166672 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.0 Ų falls within the moderate polarity range, balancing permeability and solubility for A3918/0166672. Following Lipinski's Rule of Five, A3918/0166672 has 1 hydrogen bond donor(s) and 7 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 A3918/0166672?
The CAS number of A3918/0166672 is 896066-08-3.
What is the molecular formula of A3918/0166672?
The molecular formula of A3918/0166672 is C23H18ClN5O3S.
What is the molecular weight of A3918/0166672?
The molecular weight of A3918/0166672 is 479.08 g/mol.
Where can I buy A3918/0166672?
You can request a quote for A3918/0166672 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3918/0166672?
Yes, KEHONG BIO provides custom synthesis services for A3918/0166672 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.