Methyl 2-(2-ethylbutanoylamino)benzoate
TL;DR: Methyl 2-(2-ethylbutanoylamino)benzoate (CAS 425685-71-8) is a chemical compound with molecular formula C14H19NO3 and molecular weight 249.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(2-ethylbutanoylamino)benzoate
Also Known As: methyl 2-(2-ethylbutanoylamino)benzoate, methyl2-[(2-ethylbutanoyl)amino]benzoate, AB00107527-01, AN-652/41845163
| Molecular Formula | C14H19NO3 |
|---|---|
| Molecular Weight | 249.14 g/mol |
| LogP | 2.8479 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 249.13649 |
| Heavy Atoms | 18 |
| Complexity | 424.80222 |
Chemical Identifiers
| CAS Number | 425685-71-8 |
|---|---|
| SMILES | CCC(CC)C(=O)NC1=CC=CC=C1C(=O)OC |
Product Overview
Methyl 2-(2-ethylbutanoylamino)benzoate (CAS 425685-71-8), with molecular formula C14H19NO3 and molecular weight 249.14 g/mol. IUPAC: methyl 2-(2-ethylbutanoylamino)benzoate.
Chemical Property Profile of Methyl 2-(2-ethylbutanoylamino)benzoate
Property Insights of Methyl 2-(2-ethylbutanoylamino)benzoate
The XLogP value of 2.8479 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(2-ethylbutanoylamino)benzoate. With a topological polar surface area (TPSA) of 55.4 Ų, Methyl 2-(2-ethylbutanoylamino)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-(2-ethylbutanoylamino)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 2-(2-ethylbutanoylamino)benzoate?
The CAS number of Methyl 2-(2-ethylbutanoylamino)benzoate is 425685-71-8.
What is the molecular formula of Methyl 2-(2-ethylbutanoylamino)benzoate?
The molecular formula of Methyl 2-(2-ethylbutanoylamino)benzoate is C14H19NO3.
What is the molecular weight of Methyl 2-(2-ethylbutanoylamino)benzoate?
The molecular weight of Methyl 2-(2-ethylbutanoylamino)benzoate is 249.14 g/mol.
Where can I buy Methyl 2-(2-ethylbutanoylamino)benzoate?
You can request a quote for Methyl 2-(2-ethylbutanoylamino)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-(2-ethylbutanoylamino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(2-ethylbutanoylamino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.