3-(3-bromo-1,2,4-triazol-1-yl)-N-(3,4,5-trimethoxyphenyl)adamantane-1-carboxamide
TL;DR: 3-(3-bromo-1,2,4-triazol-1-yl)-N-(3,4,5-trimethoxyphenyl)adamantane-1-carboxamide (CAS 445020-91-7) is a chemical compound with molecular formula C22H27BrN4O4 and molecular weight 490.12 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-(3,4,5-trimethoxyphenyl)adamantane-1-carboxamide
Also Known As: 3-(3-bromo-1,2,4-triazol-1-yl)-N-(3,4,5-trimethoxyphenyl)adamantane-1-carboxamide, 3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(3,4,5-trimethoxyphenyl)-1-adamantanecarboxamide, 3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(3,4,5-trimethoxyphenyl)tricyclo[3.3.1.1~3,7~]decane-1-carboxamide
| Molecular Formula | C22H27BrN4O4 |
|---|---|
| Molecular Weight | 490.12 g/mol |
| LogP | 4.0006 |
| Topological Polar Surface Area | 87.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 490.12158 |
| Heavy Atoms | 31 |
| Complexity | 983.685 |
Chemical Identifiers
| CAS Number | 445020-91-7 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)NC(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC(=N5)Br |
Product Overview
3-(3-bromo-1,2,4-triazol-1-yl)-N-(3,4,5-trimethoxyphenyl)adamantane-1-carboxamide (CAS 445020-91-7), with molecular formula C22H27BrN4O4 and molecular weight 490.12 g/mol. IUPAC: 3-(3-bromo-1,2,4-triazol-1-yl)-N-(3,4,5-trimethoxyphenyl)adamantane-1-carboxamide.
Chemical Property Profile of 3-(3-bromo-1,2,4-triazol-1-yl)-N-(3,4,5-trimethoxyphenyl)adamantane-1-carboxamide
Property Insights of 3-(3-bromo-1,2,4-triazol-1-yl)-N-(3,4,5-trimethoxyphenyl)adamantane-1-carboxamide
The XLogP value of 4.0006 indicates that 3-(3-bromo-1,2,4-triazol-1-yl)-N-(3,4,5-trimethoxyphenyl)adamantane-1-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-bromo-1,2,4-triazol-1-yl)-N-(3,4,5-trimethoxyphenyl)adamantane-1-carboxamide. Following Lipinski's Rule of Five, 3-(3-bromo-1,2,4-triazol-1-yl)-N-(3,4,5-trimethoxyphenyl)adamantane-1-carboxamide has 1 hydrogen bond donor(s) and 6 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-1,2,4-triazol-1-yl)-N-(3,4,5-trimethoxyphenyl)adamantane-1-carboxamide?
The CAS number of 3-(3-bromo-1,2,4-triazol-1-yl)-N-(3,4,5-trimethoxyphenyl)adamantane-1-carboxamide is 445020-91-7.
What is the molecular formula of 3-(3-bromo-1,2,4-triazol-1-yl)-N-(3,4,5-trimethoxyphenyl)adamantane-1-carboxamide?
The molecular formula of 3-(3-bromo-1,2,4-triazol-1-yl)-N-(3,4,5-trimethoxyphenyl)adamantane-1-carboxamide is C22H27BrN4O4.
What is the molecular weight of 3-(3-bromo-1,2,4-triazol-1-yl)-N-(3,4,5-trimethoxyphenyl)adamantane-1-carboxamide?
The molecular weight of 3-(3-bromo-1,2,4-triazol-1-yl)-N-(3,4,5-trimethoxyphenyl)adamantane-1-carboxamide is 490.12 g/mol.
Where can I buy 3-(3-bromo-1,2,4-triazol-1-yl)-N-(3,4,5-trimethoxyphenyl)adamantane-1-carboxamide?
You can request a quote for 3-(3-bromo-1,2,4-triazol-1-yl)-N-(3,4,5-trimethoxyphenyl)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 3-(3-bromo-1,2,4-triazol-1-yl)-N-(3,4,5-trimethoxyphenyl)adamantane-1-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-bromo-1,2,4-triazol-1-yl)-N-(3,4,5-trimethoxyphenyl)adamantane-1-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.