Ethyl 3-(benzylamino)hexanoate
TL;DR: Ethyl 3-(benzylamino)hexanoate (CAS 134455-46-2) is a chemical compound with molecular formula C15H23NO2 and molecular weight 249.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(benzylamino)hexanoate
Also Known As: Ethyl 3-(benzylamino)hexanoate, Ethyl 3-(benzylamino)hexanoate #, 3-Benzylamino-2-hexansaeure-ethylester, Hexanoic acid, 3-(benzylamino)-, ethyl ester, Hexanoic acid, 3-[(phenylmethyl)amino]-, ethyl ester
| Molecular Formula | C15H23NO2 |
|---|---|
| Molecular Weight | 249.17 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 249.17288 |
| Heavy Atoms | 18 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 134455-46-2 |
|---|---|
| SMILES | CCCC(CC(=O)OCC)NCC1=CC=CC=C1 |
| InChIKey | GXQFXZLDVFUWDZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 3-(benzylamino)hexanoate (CAS 134455-46-2), with molecular formula C15H23NO2 and molecular weight 249.17 g/mol. IUPAC: ethyl 3-(benzylamino)hexanoate.
Chemical Property Profile of Ethyl 3-(benzylamino)hexanoate
Property Insights of Ethyl 3-(benzylamino)hexanoate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-(benzylamino)hexanoate. With a topological polar surface area (TPSA) of 38.3 Ų, Ethyl 3-(benzylamino)hexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-(benzylamino)hexanoate 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)hexanoate?
The CAS number of Ethyl 3-(benzylamino)hexanoate is 134455-46-2.
What is the molecular formula of Ethyl 3-(benzylamino)hexanoate?
The molecular formula of Ethyl 3-(benzylamino)hexanoate is C15H23NO2.
What is the molecular weight of Ethyl 3-(benzylamino)hexanoate?
The molecular weight of Ethyl 3-(benzylamino)hexanoate is 249.17 g/mol.
Where can I buy Ethyl 3-(benzylamino)hexanoate?
You can request a quote for Ethyl 3-(benzylamino)hexanoate 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)hexanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(benzylamino)hexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.