Diethyl 2-(4-aminobenzylidene) malonate
TL;DR: Diethyl 2-(4-aminobenzylidene) malonate (CAS 30980-79-1) 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-[(4-aminophenyl)methylidene]propanedioate
Also Known As: Diethyl 2-(4-aminobenzylidene)malonate, diethyl 2-(4-aminobenzylidene) malonate, diethyl 2-[(4-aminophenyl)methylidene]propanedioate
| Molecular Formula | C14H17NO4 |
|---|---|
| Molecular Weight | 263.12 g/mol |
| LogP | 1.7784 |
| Topological Polar Surface Area | 78.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 263.11575 |
| Heavy Atoms | 19 |
| Complexity | 456.72427 |
Chemical Identifiers
| CAS Number | 30980-79-1 |
|---|---|
| SMILES | CCOC(=O)C(=CC1=CC=C(C=C1)N)C(=O)OCC |
Product Overview
Diethyl 2-(4-aminobenzylidene) malonate (CAS 30980-79-1), with molecular formula C14H17NO4 and molecular weight 263.12 g/mol. IUPAC: diethyl 2-[(4-aminophenyl)methylidene]propanedioate.
Chemical Property Profile of Diethyl 2-(4-aminobenzylidene) malonate
Property Insights of Diethyl 2-(4-aminobenzylidene) malonate
The XLogP value of 1.7784 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-(4-aminobenzylidene) malonate. The TPSA of 78.62 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-(4-aminobenzylidene) malonate. Following Lipinski's Rule of Five, Diethyl 2-(4-aminobenzylidene) malonate has 1 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-(4-aminobenzylidene) malonate?
The CAS number of Diethyl 2-(4-aminobenzylidene) malonate is 30980-79-1.
What is the molecular formula of Diethyl 2-(4-aminobenzylidene) malonate?
The molecular formula of Diethyl 2-(4-aminobenzylidene) malonate is C14H17NO4.
What is the molecular weight of Diethyl 2-(4-aminobenzylidene) malonate?
The molecular weight of Diethyl 2-(4-aminobenzylidene) malonate is 263.12 g/mol.
Where can I buy Diethyl 2-(4-aminobenzylidene) malonate?
You can request a quote for Diethyl 2-(4-aminobenzylidene) malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-(4-aminobenzylidene) malonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-(4-aminobenzylidene) malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.