1,3-Diethyl 2-(phenylcarbonimidoyl)propanedioate
TL;DR: 1,3-Diethyl 2-(phenylcarbonimidoyl)propanedioate (CAS 10304-53-7) is a chemical compound with molecular formula C14H15NO4 and molecular weight 261.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-(phenyliminomethylidene)propanedioate
Also Known As: 1-Phenylimino-2-bis(carbethoxy)ethylene, Diethyl 2-[(phenylimino)methylene]malonate, N-Phenyl-2,2-bis(ethoxycarbonyl)ethenimine, 1,3-Diethyl 2-(phenylcarbonimidoyl)propanedioate, Diethyl 2-[(phenylimino)methylene]malonate #
| Molecular Formula | C14H15NO4 |
|---|---|
| Molecular Weight | 261.10 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 65.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 261.1001 |
| Heavy Atoms | 19 |
| Complexity | 357.0 |
Chemical Identifiers
| CAS Number | 10304-53-7 |
|---|---|
| SMILES | CCOC(=O)C(=C=NC1=CC=CC=C1)C(=O)OCC |
| InChIKey | GSGROYLYADLPHB-UHFFFAOYSA-N |
Product Overview
1,3-Diethyl 2-(phenylcarbonimidoyl)propanedioate (CAS 10304-53-7), with molecular formula C14H15NO4 and molecular weight 261.10 g/mol. IUPAC: diethyl 2-(phenyliminomethylidene)propanedioate.
Chemical Property Profile of 1,3-Diethyl 2-(phenylcarbonimidoyl)propanedioate
Property Insights of 1,3-Diethyl 2-(phenylcarbonimidoyl)propanedioate
The XLogP value of 3.0 indicates that 1,3-Diethyl 2-(phenylcarbonimidoyl)propanedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Diethyl 2-(phenylcarbonimidoyl)propanedioate. Following Lipinski's Rule of Five, 1,3-Diethyl 2-(phenylcarbonimidoyl)propanedioate 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 1,3-Diethyl 2-(phenylcarbonimidoyl)propanedioate?
The CAS number of 1,3-Diethyl 2-(phenylcarbonimidoyl)propanedioate is 10304-53-7.
What is the molecular formula of 1,3-Diethyl 2-(phenylcarbonimidoyl)propanedioate?
The molecular formula of 1,3-Diethyl 2-(phenylcarbonimidoyl)propanedioate is C14H15NO4.
What is the molecular weight of 1,3-Diethyl 2-(phenylcarbonimidoyl)propanedioate?
The molecular weight of 1,3-Diethyl 2-(phenylcarbonimidoyl)propanedioate is 261.10 g/mol.
Where can I buy 1,3-Diethyl 2-(phenylcarbonimidoyl)propanedioate?
You can request a quote for 1,3-Diethyl 2-(phenylcarbonimidoyl)propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Diethyl 2-(phenylcarbonimidoyl)propanedioate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Diethyl 2-(phenylcarbonimidoyl)propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.