![N-[4-[4-benzyl-5-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]-2-chlorobenzamide structure](/static/products/6945/694501-69-4.webp)
N-[4-[4-benzyl-5-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]-2-chlorobenzamide
TL;DR: N-[4-[4-benzyl-5-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]-2-chlorobenzamide (CAS 694501-69-4) is a chemical compound with molecular formula C32H28ClN5O3S and molecular weight 597.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[4-benzyl-5-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]-2-chlorobenzamide
Also Known As: N-[4-[4-benzyl-5-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]-2-chlorobenzamide, N-{4-[4-benzyl-5-({2-[(2-ethoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]phenyl}-2-chlorobenzamide, 2-(5-{4-[(2-chlorophenyl)carbonylamino]phenyl}-4-benzyl(1,2,4-triazol-3-ylthio ))-N-(2-ethoxyphenyl)acetamide, N-{4-[4-BENZYL-5-({[(2-ETHOXYPHENYL)CARBAMOYL]METHYL}SULFANYL)-1,2,4-TRIAZOL-3-YL]PHENYL}-2-CHLOROBENZAMIDE
| Molecular Formula | C32H28ClN5O3S |
|---|---|
| Molecular Weight | 597.16 g/mol |
| LogP | 7.0286 |
| Topological Polar Surface Area | 98.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 597.16016 |
| Heavy Atoms | 42 |
| Complexity | 1675.6632 |
Chemical Identifiers
| CAS Number | 694501-69-4 |
|---|---|
| SMILES | CCOC1=CC=CC=C1NC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=C(C=C4)NC(=O)C5=CC=CC=C5Cl |
Product Overview
N-[4-[4-benzyl-5-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]-2-chlorobenzamide (CAS 694501-69-4), with molecular formula C32H28ClN5O3S and molecular weight 597.16 g/mol. IUPAC: N-[4-[4-benzyl-5-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]-2-chlorobenzamide.
Chemical Property Profile of N-[4-[4-benzyl-5-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]-2-chlorobenzamide
Property Insights of N-[4-[4-benzyl-5-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]-2-chlorobenzamide
The XLogP value of 7.0286 indicates that N-[4-[4-benzyl-5-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]-2-chlorobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.14 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[4-[4-benzyl-5-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]-2-chlorobenzamide. Following Lipinski's Rule of Five, N-[4-[4-benzyl-5-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]-2-chlorobenzamide has 2 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 N-[4-[4-benzyl-5-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]-2-chlorobenzamide?
The CAS number of N-[4-[4-benzyl-5-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]-2-chlorobenzamide is 694501-69-4.
What is the molecular formula of N-[4-[4-benzyl-5-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]-2-chlorobenzamide?
The molecular formula of N-[4-[4-benzyl-5-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]-2-chlorobenzamide is C32H28ClN5O3S.
What is the molecular weight of N-[4-[4-benzyl-5-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]-2-chlorobenzamide?
The molecular weight of N-[4-[4-benzyl-5-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]-2-chlorobenzamide is 597.16 g/mol.
Where can I buy N-[4-[4-benzyl-5-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]-2-chlorobenzamide?
You can request a quote for N-[4-[4-benzyl-5-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]-2-chlorobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[4-[4-benzyl-5-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]-2-chlorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[4-[4-benzyl-5-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]-2-chlorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.