![3,4-dichloro-N-{1-[5-({2-[(3-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}benzamide structure](/static/products/6944/694485-91-1.webp)
3,4-dichloro-N-{1-[5-({2-[(3-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}benzamide
TL;DR: 3,4-dichloro-N-{1-[5-({2-[(3-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}benzamide (CAS 694485-91-1) is a chemical compound with molecular formula C21H21Cl2N5O3S and molecular weight 493.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dichloro-N-[1-[5-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]ethyl]benzamide
Also Known As: 3,4-dichloro-N-{1-[5-({2-[(3-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}benzamide, 3,4-dichloro-N-[1-[5-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]ethyl]benzamide
| Molecular Formula | C21H21Cl2N5O3S |
|---|---|
| Molecular Weight | 493.07 g/mol |
| LogP | 4.3523 |
| Topological Polar Surface Area | 98.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 493.07422 |
| Heavy Atoms | 32 |
| Complexity | 1138.3729 |
Chemical Identifiers
| CAS Number | 694485-91-1 |
|---|---|
| SMILES | CC(C1=NN=C(N1C)SCC(=O)NC2=CC(=CC=C2)OC)NC(=O)C3=CC(=C(C=C3)Cl)Cl |
Product Overview
3,4-dichloro-N-{1-[5-({2-[(3-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}benzamide (CAS 694485-91-1), with molecular formula C21H21Cl2N5O3S and molecular weight 493.07 g/mol. IUPAC: 3,4-dichloro-N-[1-[5-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]ethyl]benzamide.
Chemical Property Profile of 3,4-dichloro-N-{1-[5-({2-[(3-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}benzamide
Property Insights of 3,4-dichloro-N-{1-[5-({2-[(3-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}benzamide
The XLogP value of 4.3523 indicates that 3,4-dichloro-N-{1-[5-({2-[(3-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}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 3,4-dichloro-N-{1-[5-({2-[(3-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}benzamide. Following Lipinski's Rule of Five, 3,4-dichloro-N-{1-[5-({2-[(3-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}benzamide 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 3,4-dichloro-N-{1-[5-({2-[(3-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}benzamide?
The CAS number of 3,4-dichloro-N-{1-[5-({2-[(3-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}benzamide is 694485-91-1.
What is the molecular formula of 3,4-dichloro-N-{1-[5-({2-[(3-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}benzamide?
The molecular formula of 3,4-dichloro-N-{1-[5-({2-[(3-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}benzamide is C21H21Cl2N5O3S.
What is the molecular weight of 3,4-dichloro-N-{1-[5-({2-[(3-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}benzamide?
The molecular weight of 3,4-dichloro-N-{1-[5-({2-[(3-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}benzamide is 493.07 g/mol.
Where can I buy 3,4-dichloro-N-{1-[5-({2-[(3-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}benzamide?
You can request a quote for 3,4-dichloro-N-{1-[5-({2-[(3-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-dichloro-N-{1-[5-({2-[(3-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3,4-dichloro-N-{1-[5-({2-[(3-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]ethyl}benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.