![Methyl 2-({[(4-methylcyclohexyl)amino]carbonyl}amino)benzoate structure](/static/products/894/894252-53-0.png)
Methyl 2-({[(4-methylcyclohexyl)amino]carbonyl}amino)benzoate
TL;DR: Methyl 2-({[(4-methylcyclohexyl)amino]carbonyl}amino)benzoate (CAS 894252-53-0) is a chemical compound with molecular formula C16H22N2O3 and molecular weight 290.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(4-methylcyclohexyl)carbamoylamino]benzoate
Also Known As: methyl 2-(3-(4-methylcyclohexyl)ureido)benzoate, Methyl 2-[(4-methylcyclohexyl)carbamoylamino]benzoate, methyl 2-({[(4-methylcyclohexyl)amino]carbonyl}amino)benzoate, methyl 2-{[(4-methylcyclohexyl)carbamoyl]amino}benzoate, methyl 2-{[(4-methylcyclohexyl)amino]carbonylamino}benzoate
| Molecular Formula | C16H22N2O3 |
|---|---|
| Molecular Weight | 290.16 g/mol |
| LogP | 3.1734 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 290.16306 |
| Heavy Atoms | 21 |
| Complexity | 507.99847 |
Chemical Identifiers
| CAS Number | 894252-53-0 |
|---|---|
| SMILES | CC1CCC(CC1)NC(=O)NC2=CC=CC=C2C(=O)OC |
Product Overview
Methyl 2-({[(4-methylcyclohexyl)amino]carbonyl}amino)benzoate (CAS 894252-53-0), with molecular formula C16H22N2O3 and molecular weight 290.16 g/mol. IUPAC: methyl 2-[(4-methylcyclohexyl)carbamoylamino]benzoate.
Chemical Property Profile of Methyl 2-({[(4-methylcyclohexyl)amino]carbonyl}amino)benzoate
Property Insights of Methyl 2-({[(4-methylcyclohexyl)amino]carbonyl}amino)benzoate
The XLogP value of 3.1734 indicates that Methyl 2-({[(4-methylcyclohexyl)amino]carbonyl}amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-({[(4-methylcyclohexyl)amino]carbonyl}amino)benzoate. Following Lipinski's Rule of Five, Methyl 2-({[(4-methylcyclohexyl)amino]carbonyl}amino)benzoate has 2 hydrogen bond donor(s) and 3 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 2-({[(4-methylcyclohexyl)amino]carbonyl}amino)benzoate?
The CAS number of Methyl 2-({[(4-methylcyclohexyl)amino]carbonyl}amino)benzoate is 894252-53-0.
What is the molecular formula of Methyl 2-({[(4-methylcyclohexyl)amino]carbonyl}amino)benzoate?
The molecular formula of Methyl 2-({[(4-methylcyclohexyl)amino]carbonyl}amino)benzoate is C16H22N2O3.
What is the molecular weight of Methyl 2-({[(4-methylcyclohexyl)amino]carbonyl}amino)benzoate?
The molecular weight of Methyl 2-({[(4-methylcyclohexyl)amino]carbonyl}amino)benzoate is 290.16 g/mol.
Where can I buy Methyl 2-({[(4-methylcyclohexyl)amino]carbonyl}amino)benzoate?
You can request a quote for Methyl 2-({[(4-methylcyclohexyl)amino]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 2-({[(4-methylcyclohexyl)amino]carbonyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-({[(4-methylcyclohexyl)amino]carbonyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.