N-(3-chloro-2-methylphenyl)-1-(2,4-dichloro-5-isopropoxyphenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide
TL;DR: N-(3-chloro-2-methylphenyl)-1-(2,4-dichloro-5-isopropoxyphenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide (CAS 866136-29-0) is a chemical compound with molecular formula C20H19Cl3N4O2 and molecular weight 452.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-2-methylphenyl)-1-(2,4-dichloro-5-propan-2-yloxyphenyl)-5-methyl-1,2,4-triazole-3-carboxamide
Also Known As: N-(3-chloro-2-methylphenyl)-1-(2,4-dichloro-5-isopropoxyphenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide, N-(3-chloro-2-methylphenyl)-1-(2,4-dichloro-5-propan-2-yloxyphenyl)-5-methyl-1,2,4-triazole-3-carboxamide, N-(3-chloro-2-methylphenyl)-1-[2,4-dichloro-5-(propan-2-yloxy)phenyl]-5-methyl-1H-1,2,4-triazole-3-carboxamide, 1-[2,4-bis(chloranyl)-5-propan-2-yloxy-phenyl]-N-(3-chloranyl-2-methyl-phenyl)-5-methyl-1,2,4-triazole-3-carboxamide, N-(3-chloro-2-methyl-phenyl)-1-(2,4-dichloro-5-isopropoxy-phenyl)-5-methyl-1,2,4-triazole-3-carboxamide
| Molecular Formula | C20H19Cl3N4O2 |
|---|---|
| Molecular Weight | 452.06 g/mol |
| LogP | 5.88384 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 452.05737 |
| Heavy Atoms | 29 |
| Complexity | 1079.8285 |
Chemical Identifiers
| CAS Number | 866136-29-0 |
|---|---|
| SMILES | CC1=C(C=CC=C1Cl)NC(=O)C2=NN(C(=N2)C)C3=CC(=C(C=C3Cl)Cl)OC(C)C |
Product Overview
N-(3-chloro-2-methylphenyl)-1-(2,4-dichloro-5-isopropoxyphenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide (CAS 866136-29-0), with molecular formula C20H19Cl3N4O2 and molecular weight 452.06 g/mol. IUPAC: N-(3-chloro-2-methylphenyl)-1-(2,4-dichloro-5-propan-2-yloxyphenyl)-5-methyl-1,2,4-triazole-3-carboxamide.
Chemical Property Profile of N-(3-chloro-2-methylphenyl)-1-(2,4-dichloro-5-isopropoxyphenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide
Property Insights of N-(3-chloro-2-methylphenyl)-1-(2,4-dichloro-5-isopropoxyphenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide
The XLogP value of 5.88384 indicates that N-(3-chloro-2-methylphenyl)-1-(2,4-dichloro-5-isopropoxyphenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.04 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-chloro-2-methylphenyl)-1-(2,4-dichloro-5-isopropoxyphenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide. Following Lipinski's Rule of Five, N-(3-chloro-2-methylphenyl)-1-(2,4-dichloro-5-isopropoxyphenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide has 1 hydrogen bond donor(s) and 4 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)-1-(2,4-dichloro-5-isopropoxyphenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide?
The CAS number of N-(3-chloro-2-methylphenyl)-1-(2,4-dichloro-5-isopropoxyphenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide is 866136-29-0.
What is the molecular formula of N-(3-chloro-2-methylphenyl)-1-(2,4-dichloro-5-isopropoxyphenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide?
The molecular formula of N-(3-chloro-2-methylphenyl)-1-(2,4-dichloro-5-isopropoxyphenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide is C20H19Cl3N4O2.
What is the molecular weight of N-(3-chloro-2-methylphenyl)-1-(2,4-dichloro-5-isopropoxyphenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide?
The molecular weight of N-(3-chloro-2-methylphenyl)-1-(2,4-dichloro-5-isopropoxyphenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide is 452.06 g/mol.
Where can I buy N-(3-chloro-2-methylphenyl)-1-(2,4-dichloro-5-isopropoxyphenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide?
You can request a quote for N-(3-chloro-2-methylphenyl)-1-(2,4-dichloro-5-isopropoxyphenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide 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)-1-(2,4-dichloro-5-isopropoxyphenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-chloro-2-methylphenyl)-1-(2,4-dichloro-5-isopropoxyphenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.