![N-(3-chloro-2-methylphenyl)-2-{[5-({[(isopropylanilino)methyl]sulfanyl}methyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide structure](/static/products/6184/618441-53-5.webp)
N-(3-chloro-2-methylphenyl)-2-{[5-({[(isopropylanilino)methyl]sulfanyl}methyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
TL;DR: N-(3-chloro-2-methylphenyl)-2-{[5-({[(isopropylanilino)methyl]sulfanyl}methyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide (CAS 618441-53-5) is a chemical compound with molecular formula C28H30ClN5OS2 and molecular weight 551.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-2-methylphenyl)-2-[[4-phenyl-5-[(N-propan-2-ylanilino)methylsulfanylmethyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N-(3-chloro-2-methylphenyl)-2-{[5-({[(isopropylanilino)methyl]sulfanyl}methyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, 646-400-4, N-(3-Chloro-2-methylphenyl)-2-((5-((((isopropyl(phenyl)amino)methyl)thio)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(3-CHLORO-2-METHYLPHENYL)-2-((5-((((ISOPROPYLANILINO)METHYL)SULFANYL)METHYL)-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)ACETAMIDE, N-(3-chloro-2-methylphenyl)-2-[[4-phenyl-5-[(N-propan-2-ylanilino)methylsulfanylmethyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C28H30ClN5OS2 |
|---|---|
| Molecular Weight | 551.16 g/mol |
| LogP | 7.06562 |
| Topological Polar Surface Area | 63.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 551.158 |
| Heavy Atoms | 37 |
| Complexity | 1314.9193 |
Chemical Identifiers
| CAS Number | 618441-53-5 |
|---|---|
| SMILES | CC1=C(C=CC=C1Cl)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CSCN(C4=CC=CC=C4)C(C)C |
Product Overview
N-(3-chloro-2-methylphenyl)-2-{[5-({[(isopropylanilino)methyl]sulfanyl}methyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide (CAS 618441-53-5), with molecular formula C28H30ClN5OS2 and molecular weight 551.16 g/mol. IUPAC: N-(3-chloro-2-methylphenyl)-2-[[4-phenyl-5-[(N-propan-2-ylanilino)methylsulfanylmethyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of N-(3-chloro-2-methylphenyl)-2-{[5-({[(isopropylanilino)methyl]sulfanyl}methyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Property Insights of N-(3-chloro-2-methylphenyl)-2-{[5-({[(isopropylanilino)methyl]sulfanyl}methyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
The XLogP value of 7.06562 indicates that N-(3-chloro-2-methylphenyl)-2-{[5-({[(isopropylanilino)methyl]sulfanyl}methyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.05 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-chloro-2-methylphenyl)-2-{[5-({[(isopropylanilino)methyl]sulfanyl}methyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide. Following Lipinski's Rule of Five, N-(3-chloro-2-methylphenyl)-2-{[5-({[(isopropylanilino)methyl]sulfanyl}methyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide has 1 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 N-(3-chloro-2-methylphenyl)-2-{[5-({[(isopropylanilino)methyl]sulfanyl}methyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The CAS number of N-(3-chloro-2-methylphenyl)-2-{[5-({[(isopropylanilino)methyl]sulfanyl}methyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is 618441-53-5.
What is the molecular formula of N-(3-chloro-2-methylphenyl)-2-{[5-({[(isopropylanilino)methyl]sulfanyl}methyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The molecular formula of N-(3-chloro-2-methylphenyl)-2-{[5-({[(isopropylanilino)methyl]sulfanyl}methyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is C28H30ClN5OS2.
What is the molecular weight of N-(3-chloro-2-methylphenyl)-2-{[5-({[(isopropylanilino)methyl]sulfanyl}methyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The molecular weight of N-(3-chloro-2-methylphenyl)-2-{[5-({[(isopropylanilino)methyl]sulfanyl}methyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is 551.16 g/mol.
Where can I buy N-(3-chloro-2-methylphenyl)-2-{[5-({[(isopropylanilino)methyl]sulfanyl}methyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
You can request a quote for N-(3-chloro-2-methylphenyl)-2-{[5-({[(isopropylanilino)methyl]sulfanyl}methyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-chloro-2-methylphenyl)-2-{[5-({[(isopropylanilino)methyl]sulfanyl}methyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-chloro-2-methylphenyl)-2-{[5-({[(isopropylanilino)methyl]sulfanyl}methyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.