![methyl 4,5-dimethoxy-2-({[3-(1H-1,2,4-triazol-1-yl)-1-adamantyl]carbonyl}amino)benzoate structure](/static/products/4449/444936-39-4.webp)
methyl 4,5-dimethoxy-2-({[3-(1H-1,2,4-triazol-1-yl)-1-adamantyl]carbonyl}amino)benzoate
TL;DR: methyl 4,5-dimethoxy-2-({[3-(1H-1,2,4-triazol-1-yl)-1-adamantyl]carbonyl}amino)benzoate (CAS 444936-39-4) is a chemical compound with molecular formula C23H28N4O5 and molecular weight 440.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4,5-dimethoxy-2-[[3-(1,2,4-triazol-1-yl)adamantane-1-carbonyl]amino]benzoate
Also Known As: methyl 4,5-dimethoxy-2-({[3-(1H-1,2,4-triazol-1-yl)-1-adamantyl]carbonyl}amino)benzoate, Methyl 4,5-dimethoxy-2-[[3-(1,2,4-triazol-1-yl)adamantane-1-carbonyl]amino]benzoate, methyl 2-(3-(1H-1,2,4-triazol-1-yl)adamantane-1-carboxamido)-4,5-dimethoxybenzoate, methyl 4,5-dimethoxy-2-({[3-(1H-1,2,4-triazol-1-yl)tricyclo[3.3.1.1~3,7~]dec-1-yl]carbonyl}amino)benzoate
| Molecular Formula | C23H28N4O5 |
|---|---|
| Molecular Weight | 440.21 g/mol |
| LogP | 3.0161 |
| Topological Polar Surface Area | 104.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 440.20596 |
| Heavy Atoms | 32 |
| Complexity | 1036.9062 |
Chemical Identifiers
| CAS Number | 444936-39-4 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC=N5)OC |
Product Overview
methyl 4,5-dimethoxy-2-({[3-(1H-1,2,4-triazol-1-yl)-1-adamantyl]carbonyl}amino)benzoate (CAS 444936-39-4), with molecular formula C23H28N4O5 and molecular weight 440.21 g/mol. IUPAC: methyl 4,5-dimethoxy-2-[[3-(1,2,4-triazol-1-yl)adamantane-1-carbonyl]amino]benzoate.
Chemical Property Profile of methyl 4,5-dimethoxy-2-({[3-(1H-1,2,4-triazol-1-yl)-1-adamantyl]carbonyl}amino)benzoate
Property Insights of methyl 4,5-dimethoxy-2-({[3-(1H-1,2,4-triazol-1-yl)-1-adamantyl]carbonyl}amino)benzoate
The XLogP value of 3.0161 indicates that methyl 4,5-dimethoxy-2-({[3-(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 104.57 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4,5-dimethoxy-2-({[3-(1H-1,2,4-triazol-1-yl)-1-adamantyl]carbonyl}amino)benzoate. Following Lipinski's Rule of Five, methyl 4,5-dimethoxy-2-({[3-(1H-1,2,4-triazol-1-yl)-1-adamantyl]carbonyl}amino)benzoate has 1 hydrogen bond donor(s) and 7 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 methyl 4,5-dimethoxy-2-({[3-(1H-1,2,4-triazol-1-yl)-1-adamantyl]carbonyl}amino)benzoate?
The CAS number of methyl 4,5-dimethoxy-2-({[3-(1H-1,2,4-triazol-1-yl)-1-adamantyl]carbonyl}amino)benzoate is 444936-39-4.
What is the molecular formula of methyl 4,5-dimethoxy-2-({[3-(1H-1,2,4-triazol-1-yl)-1-adamantyl]carbonyl}amino)benzoate?
The molecular formula of methyl 4,5-dimethoxy-2-({[3-(1H-1,2,4-triazol-1-yl)-1-adamantyl]carbonyl}amino)benzoate is C23H28N4O5.
What is the molecular weight of methyl 4,5-dimethoxy-2-({[3-(1H-1,2,4-triazol-1-yl)-1-adamantyl]carbonyl}amino)benzoate?
The molecular weight of methyl 4,5-dimethoxy-2-({[3-(1H-1,2,4-triazol-1-yl)-1-adamantyl]carbonyl}amino)benzoate is 440.21 g/mol.
Where can I buy methyl 4,5-dimethoxy-2-({[3-(1H-1,2,4-triazol-1-yl)-1-adamantyl]carbonyl}amino)benzoate?
You can request a quote for methyl 4,5-dimethoxy-2-({[3-(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 methyl 4,5-dimethoxy-2-({[3-(1H-1,2,4-triazol-1-yl)-1-adamantyl]carbonyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4,5-dimethoxy-2-({[3-(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.