![N-[4-[4-benzyl-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]-2-chlorobenzamide structure](/static/products/6945/694502-20-0.webp)
N-[4-[4-benzyl-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]-2-chlorobenzamide
TL;DR: N-[4-[4-benzyl-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]-2-chlorobenzamide (CAS 694502-20-0) is a chemical compound with molecular formula C27H21ClN6O2S2 and molecular weight 560.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[4-benzyl-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]-2-chlorobenzamide
Also Known As: N-[4-[4-benzyl-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-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-(1,3-thiazol-2-yl)acetamide, N-[4-(4-benzyl-5-{[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)phenyl]-2-chlorobenzamide, N-{4-[4-BENZYL-5-({[(1,3-THIAZOL-2-YL)CARBAMOYL]METHYL}SULFANYL)-1,2,4-TRIAZOL-3-YL]PHENYL}-2-CHLOROBENZAMIDE
| Molecular Formula | C27H21ClN6O2S2 |
|---|---|
| Molecular Weight | 560.09 g/mol |
| LogP | 6.0864 |
| Topological Polar Surface Area | 101.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 560.0856 |
| Heavy Atoms | 38 |
| Complexity | 1539.8696 |
Chemical Identifiers
| CAS Number | 694502-20-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=NN=C2SCC(=O)NC3=NC=CS3)C4=CC=C(C=C4)NC(=O)C5=CC=CC=C5Cl |
Product Overview
N-[4-[4-benzyl-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]-2-chlorobenzamide (CAS 694502-20-0), with molecular formula C27H21ClN6O2S2 and molecular weight 560.09 g/mol. IUPAC: N-[4-[4-benzyl-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]-2-chlorobenzamide.
Chemical Property Profile of N-[4-[4-benzyl-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]-2-chlorobenzamide
Property Insights of N-[4-[4-benzyl-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]-2-chlorobenzamide
The XLogP value of 6.0864 indicates that N-[4-[4-benzyl-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]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 101.8 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[4-[4-benzyl-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]-2-chlorobenzamide. Following Lipinski's Rule of Five, N-[4-[4-benzyl-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]-2-chlorobenzamide has 2 hydrogen bond donor(s) and 7 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-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]-2-chlorobenzamide?
The CAS number of N-[4-[4-benzyl-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]-2-chlorobenzamide is 694502-20-0.
What is the molecular formula of N-[4-[4-benzyl-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]-2-chlorobenzamide?
The molecular formula of N-[4-[4-benzyl-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]-2-chlorobenzamide is C27H21ClN6O2S2.
What is the molecular weight of N-[4-[4-benzyl-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]-2-chlorobenzamide?
The molecular weight of N-[4-[4-benzyl-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]-2-chlorobenzamide is 560.09 g/mol.
Where can I buy N-[4-[4-benzyl-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]-2-chlorobenzamide?
You can request a quote for N-[4-[4-benzyl-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]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-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]-2-chlorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[4-[4-benzyl-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]-2-chlorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.