Ethyl 3-(2,2-dimethylbutanoylamino)benzoate
TL;DR: Ethyl 3-(2,2-dimethylbutanoylamino)benzoate (CAS 349540-07-4) is a chemical compound with molecular formula C15H21NO3 and molecular weight 263.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(2,2-dimethylbutanoylamino)benzoate
Also Known As: TimTec1_003274, ethyl 3-(2,2-dimethylbutanoylamino)benzoate, ethyl 3-[(2,2-dimethylbutanoyl)amino]benzoate, ETHYL 3-(2,2-DIMETHYLBUTANAMIDO)BENZOATE, Ethyl 3-[(2,2-dimethyl-1-oxobutyl)amino]benzoate
| Molecular Formula | C15H21NO3 |
|---|---|
| Molecular Weight | 263.15 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 263.15213 |
| Heavy Atoms | 19 |
| Complexity | 325.0 |
Chemical Identifiers
| CAS Number | 349540-07-4 |
|---|---|
| SMILES | CCC(C)(C)C(=O)NC1=CC=CC(=C1)C(=O)OCC |
| InChIKey | CELQCJDGDYUGHI-UHFFFAOYSA-N |
Product Overview
Ethyl 3-(2,2-dimethylbutanoylamino)benzoate (CAS 349540-07-4), with molecular formula C15H21NO3 and molecular weight 263.15 g/mol. IUPAC: ethyl 3-(2,2-dimethylbutanoylamino)benzoate.
Chemical Property Profile of Ethyl 3-(2,2-dimethylbutanoylamino)benzoate
Property Insights of Ethyl 3-(2,2-dimethylbutanoylamino)benzoate
The XLogP value of 3.1 indicates that Ethyl 3-(2,2-dimethylbutanoylamino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, Ethyl 3-(2,2-dimethylbutanoylamino)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-(2,2-dimethylbutanoylamino)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 3-(2,2-dimethylbutanoylamino)benzoate?
The CAS number of Ethyl 3-(2,2-dimethylbutanoylamino)benzoate is 349540-07-4.
What is the molecular formula of Ethyl 3-(2,2-dimethylbutanoylamino)benzoate?
The molecular formula of Ethyl 3-(2,2-dimethylbutanoylamino)benzoate is C15H21NO3.
What is the molecular weight of Ethyl 3-(2,2-dimethylbutanoylamino)benzoate?
The molecular weight of Ethyl 3-(2,2-dimethylbutanoylamino)benzoate is 263.15 g/mol.
Where can I buy Ethyl 3-(2,2-dimethylbutanoylamino)benzoate?
You can request a quote for Ethyl 3-(2,2-dimethylbutanoylamino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-(2,2-dimethylbutanoylamino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(2,2-dimethylbutanoylamino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.