3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(3,4-dimethoxyphenyl)-1-adamantanecarboxamide
TL;DR: 3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(3,4-dimethoxyphenyl)-1-adamantanecarboxamide (CAS 677719-81-2) is a chemical compound with molecular formula C21H25BrN4O3 and molecular weight 460.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-bromo-1,2,4-triazol-1-yl)-N-(3,4-dimethoxyphenyl)adamantane-1-carboxamide
Also Known As: 3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(3,4-dimethoxyphenyl)-1-adamantanecarboxamide, 3-(3-bromo-1,2,4-triazol-1-yl)-N-(3,4-dimethoxyphenyl)adamantane-1-carboxamide, 3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(3,4-dimethoxyphenyl)tricyclo[3.3.1.1~3,7~]decane-1-carboxamide
| Molecular Formula | C21H25BrN4O3 |
|---|---|
| Molecular Weight | 460.11 g/mol |
| LogP | 3.992 |
| Topological Polar Surface Area | 78.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 460.111 |
| Heavy Atoms | 29 |
| Complexity | 945.1529 |
Chemical Identifiers
| CAS Number | 677719-81-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)NC(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC(=N5)Br)OC |
Product Overview
3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(3,4-dimethoxyphenyl)-1-adamantanecarboxamide (CAS 677719-81-2), with molecular formula C21H25BrN4O3 and molecular weight 460.11 g/mol. IUPAC: 3-(3-bromo-1,2,4-triazol-1-yl)-N-(3,4-dimethoxyphenyl)adamantane-1-carboxamide.
Chemical Property Profile of 3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(3,4-dimethoxyphenyl)-1-adamantanecarboxamide
Property Insights of 3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(3,4-dimethoxyphenyl)-1-adamantanecarboxamide
The XLogP value of 3.992 indicates that 3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(3,4-dimethoxyphenyl)-1-adamantanecarboxamide 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 3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(3,4-dimethoxyphenyl)-1-adamantanecarboxamide. Following Lipinski's Rule of Five, 3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(3,4-dimethoxyphenyl)-1-adamantanecarboxamide 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 3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(3,4-dimethoxyphenyl)-1-adamantanecarboxamide?
The CAS number of 3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(3,4-dimethoxyphenyl)-1-adamantanecarboxamide is 677719-81-2.
What is the molecular formula of 3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(3,4-dimethoxyphenyl)-1-adamantanecarboxamide?
The molecular formula of 3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(3,4-dimethoxyphenyl)-1-adamantanecarboxamide is C21H25BrN4O3.
What is the molecular weight of 3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(3,4-dimethoxyphenyl)-1-adamantanecarboxamide?
The molecular weight of 3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(3,4-dimethoxyphenyl)-1-adamantanecarboxamide is 460.11 g/mol.
Where can I buy 3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(3,4-dimethoxyphenyl)-1-adamantanecarboxamide?
You can request a quote for 3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(3,4-dimethoxyphenyl)-1-adamantanecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(3,4-dimethoxyphenyl)-1-adamantanecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(3,4-dimethoxyphenyl)-1-adamantanecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.