AR-196/42728103
TL;DR: AR-196/42728103 (CAS 708252-69-1) is a chemical compound with molecular formula C20H19Cl2N5O2S and molecular weight 463.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[5-[2-(benzylamino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-3,4-dichlorobenzamide
Also Known As: AR-196/42728103, N-[(5-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-3,4-dichlorobenzamide, N-[[5-[2-(benzylamino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-3,4-dichlorobenzamide
| Molecular Formula | C20H19Cl2N5O2S |
|---|---|
| Molecular Weight | 463.06 g/mol |
| LogP | 3.4604 |
| Topological Polar Surface Area | 88.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 463.06366 |
| Heavy Atoms | 30 |
| Complexity | 1042.931 |
Chemical Identifiers
| CAS Number | 708252-69-1 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NCC2=CC=CC=C2)CNC(=O)C3=CC(=C(C=C3)Cl)Cl |
Product Overview
AR-196/42728103 (CAS 708252-69-1), with molecular formula C20H19Cl2N5O2S and molecular weight 463.06 g/mol. IUPAC: N-[[5-[2-(benzylamino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-3,4-dichlorobenzamide.
Chemical Property Profile of AR-196/42728103
Property Insights of AR-196/42728103
The XLogP value of 3.4604 indicates that AR-196/42728103 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.91 Ų falls within the moderate polarity range, balancing permeability and solubility for AR-196/42728103. Following Lipinski's Rule of Five, AR-196/42728103 has 2 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 AR-196/42728103?
The CAS number of AR-196/42728103 is 708252-69-1.
What is the molecular formula of AR-196/42728103?
The molecular formula of AR-196/42728103 is C20H19Cl2N5O2S.
What is the molecular weight of AR-196/42728103?
The molecular weight of AR-196/42728103 is 463.06 g/mol.
Where can I buy AR-196/42728103?
You can request a quote for AR-196/42728103 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AR-196/42728103?
Yes, KEHONG BIO provides custom synthesis services for AR-196/42728103 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.