![2-chloro-N-{1-[5-({2-[(4-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-3-methylbutyl}benzamide structure](/static/products/6944/694456-86-5.webp)
2-chloro-N-{1-[5-({2-[(4-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-3-methylbutyl}benzamide
TL;DR: 2-chloro-N-{1-[5-({2-[(4-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-3-methylbutyl}benzamide (CAS 694456-86-5) is a chemical compound with molecular formula C24H28ClN5O3S and molecular weight 501.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-[1-[5-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-3-methylbutyl]benzamide
Also Known As: 2-chloro-N-{1-[5-({2-[(4-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-3-methylbutyl}benzamide, 2-chloro-N-(1-(5-((2-((4-methoxyphenyl)amino)-2-oxoethyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)-3-methylbutyl)benzamide, 2-chloro-N-[1-[5-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-3-methylbutyl]benzamide
| Molecular Formula | C24H28ClN5O3S |
|---|---|
| Molecular Weight | 501.16 g/mol |
| LogP | 4.7251 |
| Topological Polar Surface Area | 98.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 501.16013 |
| Heavy Atoms | 34 |
| Complexity | 1133.8921 |
Chemical Identifiers
| CAS Number | 694456-86-5 |
|---|---|
| SMILES | CC(C)CC(C1=NN=C(N1C)SCC(=O)NC2=CC=C(C=C2)OC)NC(=O)C3=CC=CC=C3Cl |
Product Overview
2-chloro-N-{1-[5-({2-[(4-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-3-methylbutyl}benzamide (CAS 694456-86-5), with molecular formula C24H28ClN5O3S and molecular weight 501.16 g/mol. IUPAC: 2-chloro-N-[1-[5-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-3-methylbutyl]benzamide.
Chemical Property Profile of 2-chloro-N-{1-[5-({2-[(4-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-3-methylbutyl}benzamide
Property Insights of 2-chloro-N-{1-[5-({2-[(4-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-3-methylbutyl}benzamide
The XLogP value of 4.7251 indicates that 2-chloro-N-{1-[5-({2-[(4-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-3-methylbutyl}benzamide 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 2-chloro-N-{1-[5-({2-[(4-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-3-methylbutyl}benzamide. Following Lipinski's Rule of Five, 2-chloro-N-{1-[5-({2-[(4-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-3-methylbutyl}benzamide 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 2-chloro-N-{1-[5-({2-[(4-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-3-methylbutyl}benzamide?
The CAS number of 2-chloro-N-{1-[5-({2-[(4-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-3-methylbutyl}benzamide is 694456-86-5.
What is the molecular formula of 2-chloro-N-{1-[5-({2-[(4-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-3-methylbutyl}benzamide?
The molecular formula of 2-chloro-N-{1-[5-({2-[(4-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-3-methylbutyl}benzamide is C24H28ClN5O3S.
What is the molecular weight of 2-chloro-N-{1-[5-({2-[(4-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-3-methylbutyl}benzamide?
The molecular weight of 2-chloro-N-{1-[5-({2-[(4-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-3-methylbutyl}benzamide is 501.16 g/mol.
Where can I buy 2-chloro-N-{1-[5-({2-[(4-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-3-methylbutyl}benzamide?
You can request a quote for 2-chloro-N-{1-[5-({2-[(4-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-3-methylbutyl}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-{1-[5-({2-[(4-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-3-methylbutyl}benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-N-{1-[5-({2-[(4-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-3-methylbutyl}benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.