Ethyl 3-benzyliminobutanoate
TL;DR: Ethyl 3-benzyliminobutanoate (CAS 76506-35-9) is a chemical compound with molecular formula C13H17NO2 and molecular weight 219.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-benzyliminobutanoate
Also Known As: ethyl 3-benzyliminobutanoate, ETHYL 3-(BENZYLIMINO)BUTANOATE, Ethyl (3E)-3-(benzylimino)butanoate, 5H-Thiazolo[3,2-a]pyrimidine-6-carboxamide,7-hydroxy-5-oxo-N-2-thiazolyl-
| Molecular Formula | C13H17NO2 |
|---|---|
| Molecular Weight | 219.13 g/mol |
| LogP | 2.6007 |
| Topological Polar Surface Area | 38.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 219.12593 |
| Heavy Atoms | 16 |
| Complexity | 357.45517 |
Chemical Identifiers
| CAS Number | 76506-35-9 |
|---|---|
| SMILES | CCOC(=O)CC(=NCC1=CC=CC=C1)C |
Product Overview
Ethyl 3-benzyliminobutanoate (CAS 76506-35-9), with molecular formula C13H17NO2 and molecular weight 219.13 g/mol. IUPAC: ethyl 3-benzyliminobutanoate.
Chemical Property Profile of Ethyl 3-benzyliminobutanoate
Property Insights of Ethyl 3-benzyliminobutanoate
The XLogP value of 2.6007 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-benzyliminobutanoate. With a topological polar surface area (TPSA) of 38.66 Ų, Ethyl 3-benzyliminobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-benzyliminobutanoate has 0 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-benzyliminobutanoate?
The CAS number of Ethyl 3-benzyliminobutanoate is 76506-35-9.
What is the molecular formula of Ethyl 3-benzyliminobutanoate?
The molecular formula of Ethyl 3-benzyliminobutanoate is C13H17NO2.
What is the molecular weight of Ethyl 3-benzyliminobutanoate?
The molecular weight of Ethyl 3-benzyliminobutanoate is 219.13 g/mol.
Where can I buy Ethyl 3-benzyliminobutanoate?
You can request a quote for Ethyl 3-benzyliminobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-benzyliminobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-benzyliminobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.