N-(4-chloro-2,5-dimethoxyphenyl)-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide
TL;DR: N-(4-chloro-2,5-dimethoxyphenyl)-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide (CAS 445017-16-3) is a chemical compound with molecular formula C21H25ClN4O3 and molecular weight 416.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chloro-2,5-dimethoxyphenyl)-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide
Also Known As: N-(4-chloro-2,5-dimethoxyphenyl)-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide, N-(4-chloro-2,5-dimethoxyphenyl)-3-(1H-1,2,4-triazol-1-yl)-1-adamantanecarboxamide, N-(4-chloro-2,5-dimethoxy-phenyl)-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide, N-(4-chloro-2,5-dimethoxyphenyl)-3-(1H-1,2,4-triazol-1-yl)tricyclo[3.3.1.1~3,7~]decane-1-carboxamide, N~1~-(4-CHLORO-2,5-DIMETHOXYPHENYL)-3-(1H-1,2,4-TRIAZOL-1-YL)-1-ADAMANTANECARBOXAMIDE
| Molecular Formula | C21H25ClN4O3 |
|---|---|
| Molecular Weight | 416.16 g/mol |
| LogP | 3.8829 |
| Topological Polar Surface Area | 78.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 416.16153 |
| Heavy Atoms | 29 |
| Complexity | 931.6529 |
Chemical Identifiers
| CAS Number | 445017-16-3 |
|---|---|
| SMILES | COC1=CC(=C(C=C1NC(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC=N5)OC)Cl |
Product Overview
N-(4-chloro-2,5-dimethoxyphenyl)-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide (CAS 445017-16-3), with molecular formula C21H25ClN4O3 and molecular weight 416.16 g/mol. IUPAC: N-(4-chloro-2,5-dimethoxyphenyl)-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide.
Chemical Property Profile of N-(4-chloro-2,5-dimethoxyphenyl)-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide
Property Insights of N-(4-chloro-2,5-dimethoxyphenyl)-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide
The XLogP value of 3.8829 indicates that N-(4-chloro-2,5-dimethoxyphenyl)-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.27 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-chloro-2,5-dimethoxyphenyl)-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide. Following Lipinski's Rule of Five, N-(4-chloro-2,5-dimethoxyphenyl)-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide has 1 hydrogen bond donor(s) and 5 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-(4-chloro-2,5-dimethoxyphenyl)-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide?
The CAS number of N-(4-chloro-2,5-dimethoxyphenyl)-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide is 445017-16-3.
What is the molecular formula of N-(4-chloro-2,5-dimethoxyphenyl)-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide?
The molecular formula of N-(4-chloro-2,5-dimethoxyphenyl)-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide is C21H25ClN4O3.
What is the molecular weight of N-(4-chloro-2,5-dimethoxyphenyl)-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide?
The molecular weight of N-(4-chloro-2,5-dimethoxyphenyl)-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide is 416.16 g/mol.
Where can I buy N-(4-chloro-2,5-dimethoxyphenyl)-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide?
You can request a quote for N-(4-chloro-2,5-dimethoxyphenyl)-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-chloro-2,5-dimethoxyphenyl)-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-chloro-2,5-dimethoxyphenyl)-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.