A2654/0113137
TL;DR: A2654/0113137 (CAS 442629-19-8) is a chemical compound with molecular formula C18H16Cl2N6O4S and molecular weight 482.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethoxy-2-nitrophenyl)acetamide
Also Known As: A2654/0113137, 2-[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethoxy-2-nitrophenyl)acetamide, 2-{[4-amino-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-ethoxy-2-nitrophenyl)acetamide, 2-[4-amino-5-(2,4-dichlorophenyl)(1,2,4-triazol-3-ylthio)]-N-(4-ethoxy-2-nitro phenyl)acetamide, 2-{[4-amino-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-{4-ethoxy-2-nitrophenyl}acetamide
| Molecular Formula | C18H16Cl2N6O4S |
|---|---|
| Molecular Weight | 482.03 g/mol |
| LogP | 4.0034 |
| Topological Polar Surface Area | 138.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 482.03308 |
| Heavy Atoms | 31 |
| Complexity | 1140.2329 |
Chemical Identifiers
| CAS Number | 442629-19-8 |
|---|---|
| SMILES | CCOC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2N)C3=C(C=C(C=C3)Cl)Cl)[N+](=O)[O-] |
Product Overview
A2654/0113137 (CAS 442629-19-8), with molecular formula C18H16Cl2N6O4S and molecular weight 482.03 g/mol. IUPAC: 2-[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethoxy-2-nitrophenyl)acetamide.
Chemical Property Profile of A2654/0113137
Property Insights of A2654/0113137
The XLogP value of 4.0034 indicates that A2654/0113137 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 138.2 Ų falls within the moderate polarity range, balancing permeability and solubility for A2654/0113137. Following Lipinski's Rule of Five, A2654/0113137 has 2 hydrogen bond donor(s) and 8 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 A2654/0113137?
The CAS number of A2654/0113137 is 442629-19-8.
What is the molecular formula of A2654/0113137?
The molecular formula of A2654/0113137 is C18H16Cl2N6O4S.
What is the molecular weight of A2654/0113137?
The molecular weight of A2654/0113137 is 482.03 g/mol.
Where can I buy A2654/0113137?
You can request a quote for A2654/0113137 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2654/0113137?
Yes, KEHONG BIO provides custom synthesis services for A2654/0113137 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.