![2-chloro-N-(4-{5-[(2-chloro-6-nitrobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}phenyl)benzamide structure](/static/products/7252/725223-60-9.webp)
2-chloro-N-(4-{5-[(2-chloro-6-nitrobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}phenyl)benzamide
TL;DR: 2-chloro-N-(4-{5-[(2-chloro-6-nitrobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}phenyl)benzamide (CAS 725223-60-9) is a chemical compound with molecular formula C23H17Cl2N5O3S and molecular weight 513.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-[4-[5-[(2-chloro-6-nitrophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]benzamide
Also Known As: 2-chloro-N-(4-{5-[(2-chloro-6-nitrobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}phenyl)benzamide, 2-chloro-N-[4-[5-[(2-chloro-6-nitrophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]benzamide
| Molecular Formula | C23H17Cl2N5O3S |
|---|---|
| Molecular Weight | 513.04 g/mol |
| LogP | 6.2417 |
| Topological Polar Surface Area | 102.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 513.0429 |
| Heavy Atoms | 34 |
| Complexity | 1375.5406 |
Chemical Identifiers
| CAS Number | 725223-60-9 |
|---|---|
| SMILES | CN1C(=NN=C1SCC2=C(C=CC=C2Cl)[N+](=O)[O-])C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4Cl |
Product Overview
2-chloro-N-(4-{5-[(2-chloro-6-nitrobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}phenyl)benzamide (CAS 725223-60-9), with molecular formula C23H17Cl2N5O3S and molecular weight 513.04 g/mol. IUPAC: 2-chloro-N-[4-[5-[(2-chloro-6-nitrophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]benzamide.
Chemical Property Profile of 2-chloro-N-(4-{5-[(2-chloro-6-nitrobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}phenyl)benzamide
Property Insights of 2-chloro-N-(4-{5-[(2-chloro-6-nitrobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}phenyl)benzamide
The XLogP value of 6.2417 indicates that 2-chloro-N-(4-{5-[(2-chloro-6-nitrobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}phenyl)benzamide 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 2-chloro-N-(4-{5-[(2-chloro-6-nitrobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}phenyl)benzamide. Following Lipinski's Rule of Five, 2-chloro-N-(4-{5-[(2-chloro-6-nitrobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}phenyl)benzamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-chloro-N-(4-{5-[(2-chloro-6-nitrobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}phenyl)benzamide?
The CAS number of 2-chloro-N-(4-{5-[(2-chloro-6-nitrobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}phenyl)benzamide is 725223-60-9.
What is the molecular formula of 2-chloro-N-(4-{5-[(2-chloro-6-nitrobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}phenyl)benzamide?
The molecular formula of 2-chloro-N-(4-{5-[(2-chloro-6-nitrobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}phenyl)benzamide is C23H17Cl2N5O3S.
What is the molecular weight of 2-chloro-N-(4-{5-[(2-chloro-6-nitrobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}phenyl)benzamide?
The molecular weight of 2-chloro-N-(4-{5-[(2-chloro-6-nitrobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}phenyl)benzamide is 513.04 g/mol.
Where can I buy 2-chloro-N-(4-{5-[(2-chloro-6-nitrobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}phenyl)benzamide?
You can request a quote for 2-chloro-N-(4-{5-[(2-chloro-6-nitrobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}phenyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-chloro-N-(4-{5-[(2-chloro-6-nitrobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}phenyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-N-(4-{5-[(2-chloro-6-nitrobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}phenyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.