Ethyl 4-(heptanoylamino)benzoate
TL;DR: Ethyl 4-(heptanoylamino)benzoate (CAS 86927-24-4) is a chemical compound with molecular formula C16H23NO3 and molecular weight 277.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(heptanoylamino)benzoate
Also Known As: Ethyl 4-(heptanoylamino)benzoate, Benzocaina Impureza II (RRT 0.71), 4- [(1- Oxoheptyl) amino]benzoic Acid Ethyl Ester, 4-?[(1-?Oxoheptyl)?amino]benzoic Acid Ethyl Ester
| Molecular Formula | C16H23NO3 |
|---|---|
| Molecular Weight | 277.17 g/mol |
| LogP | 3.7722 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 277.1678 |
| Heavy Atoms | 20 |
| Complexity | 425.85306 |
Chemical Identifiers
| CAS Number | 86927-24-4 |
|---|---|
| SMILES | CCCCCCC(=O)NC1=CC=C(C=C1)C(=O)OCC |
Product Overview
Ethyl 4-(heptanoylamino)benzoate (CAS 86927-24-4), with molecular formula C16H23NO3 and molecular weight 277.17 g/mol. IUPAC: ethyl 4-(heptanoylamino)benzoate.
Chemical Property Profile of Ethyl 4-(heptanoylamino)benzoate
Property Insights of Ethyl 4-(heptanoylamino)benzoate
The XLogP value of 3.7722 indicates that Ethyl 4-(heptanoylamino)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 4-(heptanoylamino)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-(heptanoylamino)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-(heptanoylamino)benzoate?
The CAS number of Ethyl 4-(heptanoylamino)benzoate is 86927-24-4.
What is the molecular formula of Ethyl 4-(heptanoylamino)benzoate?
The molecular formula of Ethyl 4-(heptanoylamino)benzoate is C16H23NO3.
What is the molecular weight of Ethyl 4-(heptanoylamino)benzoate?
The molecular weight of Ethyl 4-(heptanoylamino)benzoate is 277.17 g/mol.
Where can I buy Ethyl 4-(heptanoylamino)benzoate?
You can request a quote for Ethyl 4-(heptanoylamino)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-(heptanoylamino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(heptanoylamino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.