![N-(4-{5-[(2-chloro-6-nitrobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}phenyl)acetamide structure](/static/products/6932/693235-95-9.webp)
N-(4-{5-[(2-chloro-6-nitrobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}phenyl)acetamide
TL;DR: N-(4-{5-[(2-chloro-6-nitrobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}phenyl)acetamide (CAS 693235-95-9) is a chemical compound with molecular formula C18H16ClN5O3S and molecular weight 417.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[5-[(2-chloro-6-nitrophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]acetamide
Also Known As: N-(4-{5-[(2-chloro-6-nitrobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}phenyl)acetamide, N-[4-[5-[(2-chloro-6-nitrophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]acetamide, N-[4-(5-{[(2-CHLORO-6-NITROPHENYL)METHYL]SULFANYL}-4-METHYL-1,2,4-TRIAZOL-3-YL)PHENYL]ACETAMIDE, N-[4-[5-[(2-chloro-6-nitro-phenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]acetamide
| Molecular Formula | C18H16ClN5O3S |
|---|---|
| Molecular Weight | 417.07 g/mol |
| LogP | 4.2944 |
| Topological Polar Surface Area | 102.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 417.06622 |
| Heavy Atoms | 28 |
| Complexity | 1036.2004 |
Chemical Identifiers
| CAS Number | 693235-95-9 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)C2=NN=C(N2C)SCC3=C(C=CC=C3Cl)[N+](=O)[O-] |
Product Overview
N-(4-{5-[(2-chloro-6-nitrobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}phenyl)acetamide (CAS 693235-95-9), with molecular formula C18H16ClN5O3S and molecular weight 417.07 g/mol. IUPAC: N-[4-[5-[(2-chloro-6-nitrophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]acetamide.
Chemical Property Profile of N-(4-{5-[(2-chloro-6-nitrobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}phenyl)acetamide
Property Insights of N-(4-{5-[(2-chloro-6-nitrobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}phenyl)acetamide
The XLogP value of 4.2944 indicates that N-(4-{5-[(2-chloro-6-nitrobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}phenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.95 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-{5-[(2-chloro-6-nitrobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}phenyl)acetamide. Following Lipinski's Rule of Five, N-(4-{5-[(2-chloro-6-nitrobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}phenyl)acetamide has 1 hydrogen bond donor(s) and 6 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 N-(4-{5-[(2-chloro-6-nitrobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}phenyl)acetamide?
The CAS number of N-(4-{5-[(2-chloro-6-nitrobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}phenyl)acetamide is 693235-95-9.
What is the molecular formula of N-(4-{5-[(2-chloro-6-nitrobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}phenyl)acetamide?
The molecular formula of N-(4-{5-[(2-chloro-6-nitrobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}phenyl)acetamide is C18H16ClN5O3S.
What is the molecular weight of N-(4-{5-[(2-chloro-6-nitrobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}phenyl)acetamide?
The molecular weight of N-(4-{5-[(2-chloro-6-nitrobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}phenyl)acetamide is 417.07 g/mol.
Where can I buy N-(4-{5-[(2-chloro-6-nitrobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}phenyl)acetamide?
You can request a quote for N-(4-{5-[(2-chloro-6-nitrobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}phenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-{5-[(2-chloro-6-nitrobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}phenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-{5-[(2-chloro-6-nitrobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}phenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.