AR-196/42202634
TL;DR: AR-196/42202634 (CAS 724746-57-0) is a chemical compound with molecular formula C20H19ClN4O4S and molecular weight 446.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-[[5-[(4-chlorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: AR-196/42202634, methyl 4-{[({5-[(4-chlorophenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzoate, methyl 4-[[2-[[5-[(4-chlorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate, methyl 4-(2-((5-((4-chlorophenoxy)methyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate
| Molecular Formula | C20H19ClN4O4S |
|---|---|
| Molecular Weight | 446.08 g/mol |
| LogP | 3.5649 |
| Topological Polar Surface Area | 95.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 446.08154 |
| Heavy Atoms | 30 |
| Complexity | 1022.29065 |
Chemical Identifiers
| CAS Number | 724746-57-0 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)OC)COC3=CC=C(C=C3)Cl |
Product Overview
AR-196/42202634 (CAS 724746-57-0), with molecular formula C20H19ClN4O4S and molecular weight 446.08 g/mol. IUPAC: methyl 4-[[2-[[5-[(4-chlorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of AR-196/42202634
Property Insights of AR-196/42202634
The XLogP value of 3.5649 indicates that AR-196/42202634 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.34 Ų falls within the moderate polarity range, balancing permeability and solubility for AR-196/42202634. Following Lipinski's Rule of Five, AR-196/42202634 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 AR-196/42202634?
The CAS number of AR-196/42202634 is 724746-57-0.
What is the molecular formula of AR-196/42202634?
The molecular formula of AR-196/42202634 is C20H19ClN4O4S.
What is the molecular weight of AR-196/42202634?
The molecular weight of AR-196/42202634 is 446.08 g/mol.
Where can I buy AR-196/42202634?
You can request a quote for AR-196/42202634 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AR-196/42202634?
Yes, KEHONG BIO provides custom synthesis services for AR-196/42202634 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.