![N-{1-[5-({2-[(5-chloro-2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}-3-methylbenzamide structure](/static/products/6932/693269-31-7.webp)
N-{1-[5-({2-[(5-chloro-2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}-3-methylbenzamide
TL;DR: N-{1-[5-({2-[(5-chloro-2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}-3-methylbenzamide (CAS 693269-31-7) is a chemical compound with molecular formula C22H24ClN5O3S and molecular weight 473.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-[5-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]ethyl]-3-methylbenzamide
Also Known As: N-{1-[5-({2-[(5-chloro-2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}-3-methylbenzamide, N-[1-[5-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]ethyl]-3-methylbenzamide
| Molecular Formula | C22H24ClN5O3S |
|---|---|
| Molecular Weight | 473.13 g/mol |
| LogP | 4.00732 |
| Topological Polar Surface Area | 98.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 473.12885 |
| Heavy Atoms | 32 |
| Complexity | 1134.5042 |
Chemical Identifiers
| CAS Number | 693269-31-7 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(=O)NC(C)C2=NN=C(N2C)SCC(=O)NC3=C(C=CC(=C3)Cl)OC |
Product Overview
N-{1-[5-({2-[(5-chloro-2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}-3-methylbenzamide (CAS 693269-31-7), with molecular formula C22H24ClN5O3S and molecular weight 473.13 g/mol. IUPAC: N-[1-[5-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]ethyl]-3-methylbenzamide.
Chemical Property Profile of N-{1-[5-({2-[(5-chloro-2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}-3-methylbenzamide
Property Insights of N-{1-[5-({2-[(5-chloro-2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}-3-methylbenzamide
The XLogP value of 4.00732 indicates that N-{1-[5-({2-[(5-chloro-2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}-3-methylbenzamide 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-{1-[5-({2-[(5-chloro-2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}-3-methylbenzamide. Following Lipinski's Rule of Five, N-{1-[5-({2-[(5-chloro-2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}-3-methylbenzamide has 2 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-{1-[5-({2-[(5-chloro-2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}-3-methylbenzamide?
The CAS number of N-{1-[5-({2-[(5-chloro-2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}-3-methylbenzamide is 693269-31-7.
What is the molecular formula of N-{1-[5-({2-[(5-chloro-2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}-3-methylbenzamide?
The molecular formula of N-{1-[5-({2-[(5-chloro-2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}-3-methylbenzamide is C22H24ClN5O3S.
What is the molecular weight of N-{1-[5-({2-[(5-chloro-2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}-3-methylbenzamide?
The molecular weight of N-{1-[5-({2-[(5-chloro-2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}-3-methylbenzamide is 473.13 g/mol.
Where can I buy N-{1-[5-({2-[(5-chloro-2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}-3-methylbenzamide?
You can request a quote for N-{1-[5-({2-[(5-chloro-2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}-3-methylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-{1-[5-({2-[(5-chloro-2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}-3-methylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-{1-[5-({2-[(5-chloro-2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}-3-methylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.