Ethyl 2-(pentanoylamino)benzoate
TL;DR: Ethyl 2-(pentanoylamino)benzoate (CAS 448233-16-7) 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 2-(pentanoylamino)benzoate
Also Known As: ethyl 2-(pentanoylamino)benzoate, AN-652/12098995
| Molecular Formula | C14H19NO3 |
|---|---|
| Molecular Weight | 249.14 g/mol |
| LogP | 2.992 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 249.13649 |
| Heavy Atoms | 18 |
| Complexity | 415.25507 |
Chemical Identifiers
| CAS Number | 448233-16-7 |
|---|---|
| SMILES | CCCCC(=O)NC1=CC=CC=C1C(=O)OCC |
Product Overview
Ethyl 2-(pentanoylamino)benzoate (CAS 448233-16-7), with molecular formula C14H19NO3 and molecular weight 249.14 g/mol. IUPAC: ethyl 2-(pentanoylamino)benzoate.
Chemical Property Profile of Ethyl 2-(pentanoylamino)benzoate
Property Insights of Ethyl 2-(pentanoylamino)benzoate
The XLogP value of 2.992 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(pentanoylamino)benzoate. With a topological polar surface area (TPSA) of 55.4 Ų, Ethyl 2-(pentanoylamino)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-(pentanoylamino)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 2-(pentanoylamino)benzoate?
The CAS number of Ethyl 2-(pentanoylamino)benzoate is 448233-16-7.
What is the molecular formula of Ethyl 2-(pentanoylamino)benzoate?
The molecular formula of Ethyl 2-(pentanoylamino)benzoate is C14H19NO3.
What is the molecular weight of Ethyl 2-(pentanoylamino)benzoate?
The molecular weight of Ethyl 2-(pentanoylamino)benzoate is 249.14 g/mol.
Where can I buy Ethyl 2-(pentanoylamino)benzoate?
You can request a quote for Ethyl 2-(pentanoylamino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(pentanoylamino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(pentanoylamino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.