Ethyl 4-(butylamino)benzoate
TL;DR: Ethyl 4-(butylamino)benzoate (CAS 94-32-6) is a chemical compound with molecular formula C13H19NO2 and molecular weight 221.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(butylamino)benzoate
Also Known As: Ethyl 4-(butylamino)benzoate, Ethyl 4-butylaminobenzoate, Ethyl p-butylaminobenzoate, Tetracaine Impurity 5, ethyl-p-butylaminobenzoat
| Molecular Formula | C13H19NO2 |
|---|---|
| Molecular Weight | 221.14 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 221.14159 |
| Heavy Atoms | 16 |
| Complexity | 198.0 |
Chemical Identifiers
| CAS Number | 94-32-6 |
|---|---|
| SMILES | CCCCNC1=CC=C(C=C1)C(=O)OCC |
| InChIKey | GTXRSQYDLPYYNW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 4-(butylamino)benzoate (CAS 94-32-6), with molecular formula C13H19NO2 and molecular weight 221.14 g/mol. IUPAC: ethyl 4-(butylamino)benzoate.
Chemical Property Profile of Ethyl 4-(butylamino)benzoate
Property Insights of Ethyl 4-(butylamino)benzoate
The XLogP value of 4.1 indicates that Ethyl 4-(butylamino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, Ethyl 4-(butylamino)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-(butylamino)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-(butylamino)benzoate?
The CAS number of Ethyl 4-(butylamino)benzoate is 94-32-6.
What is the molecular formula of Ethyl 4-(butylamino)benzoate?
The molecular formula of Ethyl 4-(butylamino)benzoate is C13H19NO2.
What is the molecular weight of Ethyl 4-(butylamino)benzoate?
The molecular weight of Ethyl 4-(butylamino)benzoate is 221.14 g/mol.
Where can I buy Ethyl 4-(butylamino)benzoate?
You can request a quote for Ethyl 4-(butylamino)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-(butylamino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(butylamino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.