Ethyl 4-(benzylamino)benzoate
TL;DR: Ethyl 4-(benzylamino)benzoate (CAS 61439-53-0) is a chemical compound with molecular formula C16H17NO2 and molecular weight 255.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(benzylamino)benzoate
Also Known As: ethyl 4-(benzylamino)benzoate, Ethyl p-benzylaminobenzoate, ethyl 4-(N-benzyl)aminobenzoate, ethyl 4-benzylaminobenzoate, 4-(Benzylamino)benzoic acid ethyl ester
| Molecular Formula | C16H17NO2 |
|---|---|
| Molecular Weight | 255.13 g/mol |
| LogP | 3.4754 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 255.12593 |
| Heavy Atoms | 19 |
| Complexity | 520.205 |
Chemical Identifiers
| CAS Number | 61439-53-0 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NCC2=CC=CC=C2 |
Product Overview
Ethyl 4-(benzylamino)benzoate (CAS 61439-53-0), with molecular formula C16H17NO2 and molecular weight 255.13 g/mol. IUPAC: ethyl 4-(benzylamino)benzoate.
Chemical Property Profile of Ethyl 4-(benzylamino)benzoate
Property Insights of Ethyl 4-(benzylamino)benzoate
The XLogP value of 3.4754 indicates that Ethyl 4-(benzylamino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.33 Ų, Ethyl 4-(benzylamino)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-(benzylamino)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-(benzylamino)benzoate?
The CAS number of Ethyl 4-(benzylamino)benzoate is 61439-53-0.
What is the molecular formula of Ethyl 4-(benzylamino)benzoate?
The molecular formula of Ethyl 4-(benzylamino)benzoate is C16H17NO2.
What is the molecular weight of Ethyl 4-(benzylamino)benzoate?
The molecular weight of Ethyl 4-(benzylamino)benzoate is 255.13 g/mol.
Where can I buy Ethyl 4-(benzylamino)benzoate?
You can request a quote for Ethyl 4-(benzylamino)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-(benzylamino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(benzylamino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.