Diethyl 2-phenyliminobutanedioate
TL;DR: Diethyl 2-phenyliminobutanedioate (CAS 2415-79-4) is a chemical compound with molecular formula C14H17NO4 and molecular weight 263.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-phenyliminobutanedioate
Also Known As: diethyl 2-phenyliminobutanedioate, diethyl(2e)-2-(phenylimino)butanedioate, Butanedioic acid,2-(phenylimino)-, 1,4-diethyl ester
| Molecular Formula | C14H17NO4 |
|---|---|
| Molecular Weight | 263.12 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 65.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 263.11575 |
| Heavy Atoms | 19 |
| Complexity | 332.0 |
Chemical Identifiers
| CAS Number | 2415-79-4 |
|---|---|
| SMILES | CCOC(=O)CC(=NC1=CC=CC=C1)C(=O)OCC |
| InChIKey | RRSIVBAGWIBWFD-UHFFFAOYSA-N |
Product Overview
Diethyl 2-phenyliminobutanedioate (CAS 2415-79-4), with molecular formula C14H17NO4 and molecular weight 263.12 g/mol. IUPAC: diethyl 2-phenyliminobutanedioate.
Chemical Property Profile of Diethyl 2-phenyliminobutanedioate
Property Insights of Diethyl 2-phenyliminobutanedioate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-phenyliminobutanedioate. The TPSA of 65.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-phenyliminobutanedioate. Following Lipinski's Rule of Five, Diethyl 2-phenyliminobutanedioate has 0 hydrogen bond donor(s) and 5 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 Diethyl 2-phenyliminobutanedioate?
The CAS number of Diethyl 2-phenyliminobutanedioate is 2415-79-4.
What is the molecular formula of Diethyl 2-phenyliminobutanedioate?
The molecular formula of Diethyl 2-phenyliminobutanedioate is C14H17NO4.
What is the molecular weight of Diethyl 2-phenyliminobutanedioate?
The molecular weight of Diethyl 2-phenyliminobutanedioate is 263.12 g/mol.
Where can I buy Diethyl 2-phenyliminobutanedioate?
You can request a quote for Diethyl 2-phenyliminobutanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-phenyliminobutanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-phenyliminobutanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.