Ethyl 4-(2-methylpropanoylamino)benzoate
TL;DR: Ethyl 4-(2-methylpropanoylamino)benzoate (CAS 86927-22-2) is a chemical compound with molecular formula C13H17NO3 and molecular weight 235.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(2-methylpropanoylamino)benzoate
Also Known As: ethyl 4-(2-methylpropanoylamino)benzoate, Ethyl 4-isobutyramidobenzoate, ethyl4-(isobutyrylamino)benzoate, ethyl 4-(isobutyrylamino)benzoate, ethyl 4-(2-methylpropanamido)benzoate
| Molecular Formula | C13H17NO3 |
|---|---|
| Molecular Weight | 235.12 g/mol |
| LogP | 2.4578 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 235.12085 |
| Heavy Atoms | 17 |
| Complexity | 395.63052 |
Chemical Identifiers
| CAS Number | 86927-22-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)C |
Product Overview
Ethyl 4-(2-methylpropanoylamino)benzoate (CAS 86927-22-2), with molecular formula C13H17NO3 and molecular weight 235.12 g/mol. IUPAC: ethyl 4-(2-methylpropanoylamino)benzoate.
Chemical Property Profile of Ethyl 4-(2-methylpropanoylamino)benzoate
Property Insights of Ethyl 4-(2-methylpropanoylamino)benzoate
The XLogP value of 2.4578 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(2-methylpropanoylamino)benzoate. With a topological polar surface area (TPSA) of 55.4 Ų, Ethyl 4-(2-methylpropanoylamino)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-(2-methylpropanoylamino)benzoate has 1 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 Ethyl 4-(2-methylpropanoylamino)benzoate?
The CAS number of Ethyl 4-(2-methylpropanoylamino)benzoate is 86927-22-2.
What is the molecular formula of Ethyl 4-(2-methylpropanoylamino)benzoate?
The molecular formula of Ethyl 4-(2-methylpropanoylamino)benzoate is C13H17NO3.
What is the molecular weight of Ethyl 4-(2-methylpropanoylamino)benzoate?
The molecular weight of Ethyl 4-(2-methylpropanoylamino)benzoate is 235.12 g/mol.
Where can I buy Ethyl 4-(2-methylpropanoylamino)benzoate?
You can request a quote for Ethyl 4-(2-methylpropanoylamino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-(2-methylpropanoylamino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(2-methylpropanoylamino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.