![butyl 4-({[3-(3-bromo-1H-1,2,4-triazol-1-yl)-1-adamantyl]carbonyl}amino)benzoate structure](/static/products/4450/445016-75-1.webp)
butyl 4-({[3-(3-bromo-1H-1,2,4-triazol-1-yl)-1-adamantyl]carbonyl}amino)benzoate
TL;DR: butyl 4-({[3-(3-bromo-1H-1,2,4-triazol-1-yl)-1-adamantyl]carbonyl}amino)benzoate (CAS 445016-75-1) is a chemical compound with molecular formula C24H29BrN4O3 and molecular weight 500.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-[[3-(3-bromo-1,2,4-triazol-1-yl)adamantane-1-carbonyl]amino]benzoate
Also Known As: butyl 4-({[3-(3-bromo-1H-1,2,4-triazol-1-yl)-1-adamantyl]carbonyl}amino)benzoate, butyl 4-[[3-(3-bromo-1,2,4-triazol-1-yl)adamantane-1-carbonyl]amino]benzoate, butyl 4-(3-(3-bromo-1H-1,2,4-triazol-1-yl)adamantane-1-carboxamido)benzoate, butyl 4-({[3-(3-bromo-1H-1,2,4-triazol-1-yl)tricyclo[3.3.1.1~3,7~]dec-1-yl]carbonyl}amino)benzoate
| Molecular Formula | C24H29BrN4O3 |
|---|---|
| Molecular Weight | 500.14 g/mol |
| LogP | 4.9317 |
| Topological Polar Surface Area | 86.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 500.1423 |
| Heavy Atoms | 32 |
| Complexity | 1004.5066 |
Chemical Identifiers
| CAS Number | 445016-75-1 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC(=N5)Br |
Product Overview
butyl 4-({[3-(3-bromo-1H-1,2,4-triazol-1-yl)-1-adamantyl]carbonyl}amino)benzoate (CAS 445016-75-1), with molecular formula C24H29BrN4O3 and molecular weight 500.14 g/mol. IUPAC: butyl 4-[[3-(3-bromo-1,2,4-triazol-1-yl)adamantane-1-carbonyl]amino]benzoate.
Chemical Property Profile of butyl 4-({[3-(3-bromo-1H-1,2,4-triazol-1-yl)-1-adamantyl]carbonyl}amino)benzoate
Property Insights of butyl 4-({[3-(3-bromo-1H-1,2,4-triazol-1-yl)-1-adamantyl]carbonyl}amino)benzoate
The XLogP value of 4.9317 indicates that butyl 4-({[3-(3-bromo-1H-1,2,4-triazol-1-yl)-1-adamantyl]carbonyl}amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.11 Ų falls within the moderate polarity range, balancing permeability and solubility for butyl 4-({[3-(3-bromo-1H-1,2,4-triazol-1-yl)-1-adamantyl]carbonyl}amino)benzoate. Following Lipinski's Rule of Five, butyl 4-({[3-(3-bromo-1H-1,2,4-triazol-1-yl)-1-adamantyl]carbonyl}amino)benzoate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of butyl 4-({[3-(3-bromo-1H-1,2,4-triazol-1-yl)-1-adamantyl]carbonyl}amino)benzoate?
The CAS number of butyl 4-({[3-(3-bromo-1H-1,2,4-triazol-1-yl)-1-adamantyl]carbonyl}amino)benzoate is 445016-75-1.
What is the molecular formula of butyl 4-({[3-(3-bromo-1H-1,2,4-triazol-1-yl)-1-adamantyl]carbonyl}amino)benzoate?
The molecular formula of butyl 4-({[3-(3-bromo-1H-1,2,4-triazol-1-yl)-1-adamantyl]carbonyl}amino)benzoate is C24H29BrN4O3.
What is the molecular weight of butyl 4-({[3-(3-bromo-1H-1,2,4-triazol-1-yl)-1-adamantyl]carbonyl}amino)benzoate?
The molecular weight of butyl 4-({[3-(3-bromo-1H-1,2,4-triazol-1-yl)-1-adamantyl]carbonyl}amino)benzoate is 500.14 g/mol.
Where can I buy butyl 4-({[3-(3-bromo-1H-1,2,4-triazol-1-yl)-1-adamantyl]carbonyl}amino)benzoate?
You can request a quote for butyl 4-({[3-(3-bromo-1H-1,2,4-triazol-1-yl)-1-adamantyl]carbonyl}amino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for butyl 4-({[3-(3-bromo-1H-1,2,4-triazol-1-yl)-1-adamantyl]carbonyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for butyl 4-({[3-(3-bromo-1H-1,2,4-triazol-1-yl)-1-adamantyl]carbonyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.