Ethyl 3-(benzylamino)butanoate
TL;DR: Ethyl 3-(benzylamino)butanoate (CAS 99985-63-4) 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 3-(benzylamino)butanoate
Also Known As: ethyl 3-(benzylamino)butanoate, ethyl 3-[benzylamino]butanoate, ethyl 3-(benzylamino)-butanoate, ETHYL3-(BENZYLAMINO)BUTANOATE, (R)-Ethyl 3-(benzylamino)butanoate
| Molecular Formula | C13H19NO2 |
|---|---|
| Molecular Weight | 221.14 g/mol |
| LogP | 1.9 |
| 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 | 200.0 |
Chemical Identifiers
| CAS Number | 99985-63-4 |
|---|---|
| SMILES | CCOC(=O)CC(C)NCC1=CC=CC=C1 |
| InChIKey | JENQQNDKUFOZAO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 3-(benzylamino)butanoate (CAS 99985-63-4), with molecular formula C13H19NO2 and molecular weight 221.14 g/mol. IUPAC: ethyl 3-(benzylamino)butanoate.
Chemical Property Profile of Ethyl 3-(benzylamino)butanoate
Property Insights of Ethyl 3-(benzylamino)butanoate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-(benzylamino)butanoate. With a topological polar surface area (TPSA) of 38.3 Ų, Ethyl 3-(benzylamino)butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-(benzylamino)butanoate 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 3-(benzylamino)butanoate?
The CAS number of Ethyl 3-(benzylamino)butanoate is 99985-63-4.
What is the molecular formula of Ethyl 3-(benzylamino)butanoate?
The molecular formula of Ethyl 3-(benzylamino)butanoate is C13H19NO2.
What is the molecular weight of Ethyl 3-(benzylamino)butanoate?
The molecular weight of Ethyl 3-(benzylamino)butanoate is 221.14 g/mol.
Where can I buy Ethyl 3-(benzylamino)butanoate?
You can request a quote for Ethyl 3-(benzylamino)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-(benzylamino)butanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(benzylamino)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.