Ethyl 4-(2-methylbutanoylamino)benzoate
TL;DR: Ethyl 4-(2-methylbutanoylamino)benzoate (CAS 335397-56-3) 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.
ethyl 4-(2-methylbutanoylamino)benzoate
Also Known As: ethyl 4-(2-methylbutanoylamino)benzoate, ethyl 4-[(2-methylbutanoyl)amino]benzoate, ETHYL 4-(2-METHYLBUTANAMIDO)BENZOATE, BAS 02257063, AB00103553-01
| 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 | 411.55222 |
Chemical Identifiers
| CAS Number | 335397-56-3 |
|---|---|
| SMILES | CCC(C)C(=O)NC1=CC=C(C=C1)C(=O)OCC |
Product Overview
Ethyl 4-(2-methylbutanoylamino)benzoate (CAS 335397-56-3), with molecular formula C14H19NO3 and molecular weight 249.14 g/mol. IUPAC: ethyl 4-(2-methylbutanoylamino)benzoate.
Chemical Property Profile of Ethyl 4-(2-methylbutanoylamino)benzoate
Property Insights of Ethyl 4-(2-methylbutanoylamino)benzoate
The XLogP value of 2.8479 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(2-methylbutanoylamino)benzoate. With a topological polar surface area (TPSA) of 55.4 Ų, Ethyl 4-(2-methylbutanoylamino)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-(2-methylbutanoylamino)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-methylbutanoylamino)benzoate?
The CAS number of Ethyl 4-(2-methylbutanoylamino)benzoate is 335397-56-3.
What is the molecular formula of Ethyl 4-(2-methylbutanoylamino)benzoate?
The molecular formula of Ethyl 4-(2-methylbutanoylamino)benzoate is C14H19NO3.
What is the molecular weight of Ethyl 4-(2-methylbutanoylamino)benzoate?
The molecular weight of Ethyl 4-(2-methylbutanoylamino)benzoate is 249.14 g/mol.
Where can I buy Ethyl 4-(2-methylbutanoylamino)benzoate?
You can request a quote for Ethyl 4-(2-methylbutanoylamino)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-methylbutanoylamino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(2-methylbutanoylamino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.