![2-[5-(3-chlorophenyl)-4-methyl(1,2,4-triazol-3-ylthio)]-N-[2-methoxy-5-methyl- 4-(phenylcarbonylamino)phenyl]acetamide structure](/static/products/896/896848-76-3.png)
2-[5-(3-chlorophenyl)-4-methyl(1,2,4-triazol-3-ylthio)]-N-[2-methoxy-5-methyl- 4-(phenylcarbonylamino)phenyl]acetamide
TL;DR: 2-[5-(3-chlorophenyl)-4-methyl(1,2,4-triazol-3-ylthio)]-N-[2-methoxy-5-methyl- 4-(phenylcarbonylamino)phenyl]acetamide (CAS 896848-76-3) is a chemical compound with molecular formula C26H24ClN5O3S and molecular weight 521.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[[2-[[5-(3-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-5-methoxy-2-methylphenyl]benzamide
Also Known As: 2-[5-(3-chlorophenyl)-4-methyl(1,2,4-triazol-3-ylthio)]-N-[2-methoxy-5-methyl- 4-(phenylcarbonylamino)phenyl]acetamide, N-(4-(2-((5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetamido)-5-methoxy-2-methylphenyl)benzamide, N-[4-(2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-5-methoxy-2-methylphenyl]benzamide, N-[4-[[2-[[5-(3-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-5-methoxy-2-methylphenyl]benzamide, N-{4-[({[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-5-methoxy-2-methylphenyl}benzamide
| Molecular Formula | C26H24ClN5O3S |
|---|---|
| Molecular Weight | 521.13 g/mol |
| LogP | 5.43562 |
| Topological Polar Surface Area | 98.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 521.12885 |
| Heavy Atoms | 36 |
| Complexity | 1408.2175 |
Chemical Identifiers
| CAS Number | 896848-76-3 |
|---|---|
| SMILES | CC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2)OC)NC(=O)CSC3=NN=C(N3C)C4=CC(=CC=C4)Cl |
Product Overview
2-[5-(3-chlorophenyl)-4-methyl(1,2,4-triazol-3-ylthio)]-N-[2-methoxy-5-methyl- 4-(phenylcarbonylamino)phenyl]acetamide (CAS 896848-76-3), with molecular formula C26H24ClN5O3S and molecular weight 521.13 g/mol. IUPAC: N-[4-[[2-[[5-(3-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-5-methoxy-2-methylphenyl]benzamide.
Chemical Property Profile of 2-[5-(3-chlorophenyl)-4-methyl(1,2,4-triazol-3-ylthio)]-N-[2-methoxy-5-methyl- 4-(phenylcarbonylamino)phenyl]acetamide
Property Insights of 2-[5-(3-chlorophenyl)-4-methyl(1,2,4-triazol-3-ylthio)]-N-[2-methoxy-5-methyl- 4-(phenylcarbonylamino)phenyl]acetamide
The XLogP value of 5.43562 indicates that 2-[5-(3-chlorophenyl)-4-methyl(1,2,4-triazol-3-ylthio)]-N-[2-methoxy-5-methyl- 4-(phenylcarbonylamino)phenyl]acetamide 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-[5-(3-chlorophenyl)-4-methyl(1,2,4-triazol-3-ylthio)]-N-[2-methoxy-5-methyl- 4-(phenylcarbonylamino)phenyl]acetamide. Following Lipinski's Rule of Five, 2-[5-(3-chlorophenyl)-4-methyl(1,2,4-triazol-3-ylthio)]-N-[2-methoxy-5-methyl- 4-(phenylcarbonylamino)phenyl]acetamide 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-[5-(3-chlorophenyl)-4-methyl(1,2,4-triazol-3-ylthio)]-N-[2-methoxy-5-methyl- 4-(phenylcarbonylamino)phenyl]acetamide?
The CAS number of 2-[5-(3-chlorophenyl)-4-methyl(1,2,4-triazol-3-ylthio)]-N-[2-methoxy-5-methyl- 4-(phenylcarbonylamino)phenyl]acetamide is 896848-76-3.
What is the molecular formula of 2-[5-(3-chlorophenyl)-4-methyl(1,2,4-triazol-3-ylthio)]-N-[2-methoxy-5-methyl- 4-(phenylcarbonylamino)phenyl]acetamide?
The molecular formula of 2-[5-(3-chlorophenyl)-4-methyl(1,2,4-triazol-3-ylthio)]-N-[2-methoxy-5-methyl- 4-(phenylcarbonylamino)phenyl]acetamide is C26H24ClN5O3S.
What is the molecular weight of 2-[5-(3-chlorophenyl)-4-methyl(1,2,4-triazol-3-ylthio)]-N-[2-methoxy-5-methyl- 4-(phenylcarbonylamino)phenyl]acetamide?
The molecular weight of 2-[5-(3-chlorophenyl)-4-methyl(1,2,4-triazol-3-ylthio)]-N-[2-methoxy-5-methyl- 4-(phenylcarbonylamino)phenyl]acetamide is 521.13 g/mol.
Where can I buy 2-[5-(3-chlorophenyl)-4-methyl(1,2,4-triazol-3-ylthio)]-N-[2-methoxy-5-methyl- 4-(phenylcarbonylamino)phenyl]acetamide?
You can request a quote for 2-[5-(3-chlorophenyl)-4-methyl(1,2,4-triazol-3-ylthio)]-N-[2-methoxy-5-methyl- 4-(phenylcarbonylamino)phenyl]acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[5-(3-chlorophenyl)-4-methyl(1,2,4-triazol-3-ylthio)]-N-[2-methoxy-5-methyl- 4-(phenylcarbonylamino)phenyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[5-(3-chlorophenyl)-4-methyl(1,2,4-triazol-3-ylthio)]-N-[2-methoxy-5-methyl- 4-(phenylcarbonylamino)phenyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.