Methyl (E)-2-((2-methyl-1-oxo-2-butenyl)amino)benzoate
TL;DR: Methyl (E)-2-((2-methyl-1-oxo-2-butenyl)amino)benzoate (CAS 84604-40-0) is a chemical compound with molecular formula C13H15NO3 and molecular weight 233.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[(E)-2-methylbut-2-enoyl]amino]benzoate
Also Known As: methyl -2-[ amino]benzoate, EINECS 283-320-5, L-Glutamic acid 5-isopropyl ester, Methyl (E)-2-((2-methyl-1-oxo-2-butenyl)amino)benzoate, methyl 2-(2-methylbut-2-enoylamino)benzoate
| Molecular Formula | C13H15NO3 |
|---|---|
| Molecular Weight | 233.11 g/mol |
| LogP | 2.3779 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 233.1052 |
| Heavy Atoms | 17 |
| Complexity | 463.4873 |
Chemical Identifiers
| CAS Number | 84604-40-0 |
|---|---|
| SMILES | C/C=C(\C)/C(=O)NC1=CC=CC=C1C(=O)OC |
Product Overview
Methyl (E)-2-((2-methyl-1-oxo-2-butenyl)amino)benzoate (CAS 84604-40-0), with molecular formula C13H15NO3 and molecular weight 233.11 g/mol. IUPAC: methyl 2-[[(E)-2-methylbut-2-enoyl]amino]benzoate.
Chemical Property Profile of Methyl (E)-2-((2-methyl-1-oxo-2-butenyl)amino)benzoate
Property Insights of Methyl (E)-2-((2-methyl-1-oxo-2-butenyl)amino)benzoate
The XLogP value of 2.3779 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl (E)-2-((2-methyl-1-oxo-2-butenyl)amino)benzoate. With a topological polar surface area (TPSA) of 55.4 Ų, Methyl (E)-2-((2-methyl-1-oxo-2-butenyl)amino)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl (E)-2-((2-methyl-1-oxo-2-butenyl)amino)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 Methyl (E)-2-((2-methyl-1-oxo-2-butenyl)amino)benzoate?
The CAS number of Methyl (E)-2-((2-methyl-1-oxo-2-butenyl)amino)benzoate is 84604-40-0.
What is the molecular formula of Methyl (E)-2-((2-methyl-1-oxo-2-butenyl)amino)benzoate?
The molecular formula of Methyl (E)-2-((2-methyl-1-oxo-2-butenyl)amino)benzoate is C13H15NO3.
What is the molecular weight of Methyl (E)-2-((2-methyl-1-oxo-2-butenyl)amino)benzoate?
The molecular weight of Methyl (E)-2-((2-methyl-1-oxo-2-butenyl)amino)benzoate is 233.11 g/mol.
Where can I buy Methyl (E)-2-((2-methyl-1-oxo-2-butenyl)amino)benzoate?
You can request a quote for Methyl (E)-2-((2-methyl-1-oxo-2-butenyl)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 (E)-2-((2-methyl-1-oxo-2-butenyl)amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (E)-2-((2-methyl-1-oxo-2-butenyl)amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.