Diethyl 2-(((2-aminophenyl)amino)methylene)malonate
TL;DR: Diethyl 2-(((2-aminophenyl)amino)methylene)malonate (CAS 14525-98-5) is a chemical compound with molecular formula C14H18N2O4 and molecular weight 278.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[(2-aminoanilino)methylidene]propanedioate
Also Known As: DIETHYL 2-(((2-AMINOPHENYL)AMINO)METHYLENE)MALONATE, diethyl 2-[(2-aminoanilino)methylene]malonate, diethyl 2-[(2-aminoanilino)methylidene]propanedioate, diethyl 2-[(2-aminoanilino)methylene]propanedioate, diethyl 2-[(2-aminophenyl)aminomethylidene]malonate
| Molecular Formula | C14H18N2O4 |
|---|---|
| Molecular Weight | 278.13 g/mol |
| LogP | 1.6908 |
| Topological Polar Surface Area | 90.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 278.12665 |
| Heavy Atoms | 20 |
| Complexity | 491.6503 |
Chemical Identifiers
| CAS Number | 14525-98-5 |
|---|---|
| SMILES | CCOC(=O)C(=CNC1=CC=CC=C1N)C(=O)OCC |
Product Overview
Diethyl 2-(((2-aminophenyl)amino)methylene)malonate (CAS 14525-98-5), with molecular formula C14H18N2O4 and molecular weight 278.13 g/mol. IUPAC: diethyl 2-[(2-aminoanilino)methylidene]propanedioate.
Chemical Property Profile of Diethyl 2-(((2-aminophenyl)amino)methylene)malonate
Property Insights of Diethyl 2-(((2-aminophenyl)amino)methylene)malonate
The XLogP value of 1.6908 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-(((2-aminophenyl)amino)methylene)malonate. The TPSA of 90.65 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-(((2-aminophenyl)amino)methylene)malonate. Following Lipinski's Rule of Five, Diethyl 2-(((2-aminophenyl)amino)methylene)malonate has 2 hydrogen bond donor(s) and 6 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-(((2-aminophenyl)amino)methylene)malonate?
The CAS number of Diethyl 2-(((2-aminophenyl)amino)methylene)malonate is 14525-98-5.
What is the molecular formula of Diethyl 2-(((2-aminophenyl)amino)methylene)malonate?
The molecular formula of Diethyl 2-(((2-aminophenyl)amino)methylene)malonate is C14H18N2O4.
What is the molecular weight of Diethyl 2-(((2-aminophenyl)amino)methylene)malonate?
The molecular weight of Diethyl 2-(((2-aminophenyl)amino)methylene)malonate is 278.13 g/mol.
Where can I buy Diethyl 2-(((2-aminophenyl)amino)methylene)malonate?
You can request a quote for Diethyl 2-(((2-aminophenyl)amino)methylene)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-(((2-aminophenyl)amino)methylene)malonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-(((2-aminophenyl)amino)methylene)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.