Ethyl 4-(pentylamino)benzoate
TL;DR: Ethyl 4-(pentylamino)benzoate (CAS 7651-82-3) is a chemical compound with molecular formula C14H21NO2 and molecular weight 235.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(pentylamino)benzoate
Also Known As: ethyl 4-(pentylamino)benzoate, 4-Pentylamino-benzoesaeure-aethylester, 4-(Pentylamino)benzoic acid ethyl ester, J2.355.594H
| Molecular Formula | C14H21NO2 |
|---|---|
| Molecular Weight | 235.16 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 235.15723 |
| Heavy Atoms | 17 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 7651-82-3 |
|---|---|
| SMILES | CCCCCNC1=CC=C(C=C1)C(=O)OCC |
| InChIKey | ACOMPYYPXAAIAY-UHFFFAOYSA-N |
Product Overview
Ethyl 4-(pentylamino)benzoate (CAS 7651-82-3), with molecular formula C14H21NO2 and molecular weight 235.16 g/mol. IUPAC: ethyl 4-(pentylamino)benzoate.
Chemical Property Profile of Ethyl 4-(pentylamino)benzoate
Property Insights of Ethyl 4-(pentylamino)benzoate
The XLogP value of 4.5 indicates that Ethyl 4-(pentylamino)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-(pentylamino)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-(pentylamino)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-(pentylamino)benzoate?
The CAS number of Ethyl 4-(pentylamino)benzoate is 7651-82-3.
What is the molecular formula of Ethyl 4-(pentylamino)benzoate?
The molecular formula of Ethyl 4-(pentylamino)benzoate is C14H21NO2.
What is the molecular weight of Ethyl 4-(pentylamino)benzoate?
The molecular weight of Ethyl 4-(pentylamino)benzoate is 235.16 g/mol.
Where can I buy Ethyl 4-(pentylamino)benzoate?
You can request a quote for Ethyl 4-(pentylamino)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-(pentylamino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(pentylamino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.