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Diethyl 2-[(4-acetylanilino)methylene]malonate
TL;DR: Diethyl 2-[(4-acetylanilino)methylene]malonate (CAS 104007-11-6) is a chemical compound with molecular formula C16H19NO5 and molecular weight 305.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[(4-acetylanilino)methylidene]propanedioate
Also Known As: diethyl 2-[(4-acetylanilino)methylene]malonate, Ethyl 2-ethoxycarbonyl-3-(4-acetylphenylamino)acrylate, diethyl 2-[(4-acetylanilino)methylidene]propanedioate, diethyl2-[(4-acetylanilino)methylene]malonate, 8J-015
| Molecular Formula | C16H19NO5 |
|---|---|
| Molecular Weight | 305.13 g/mol |
| LogP | 2.3112 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 305.1263 |
| Heavy Atoms | 22 |
| Complexity | 554.7039 |
Chemical Identifiers
| CAS Number | 104007-11-6 |
|---|---|
| SMILES | CCOC(=O)C(=CNC1=CC=C(C=C1)C(=O)C)C(=O)OCC |
Product Overview
Diethyl 2-[(4-acetylanilino)methylene]malonate (CAS 104007-11-6), with molecular formula C16H19NO5 and molecular weight 305.13 g/mol. IUPAC: diethyl 2-[(4-acetylanilino)methylidene]propanedioate.
Chemical Property Profile of Diethyl 2-[(4-acetylanilino)methylene]malonate
Property Insights of Diethyl 2-[(4-acetylanilino)methylene]malonate
The XLogP value of 2.3112 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-[(4-acetylanilino)methylene]malonate. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-[(4-acetylanilino)methylene]malonate. Following Lipinski's Rule of Five, Diethyl 2-[(4-acetylanilino)methylene]malonate has 1 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-[(4-acetylanilino)methylene]malonate?
The CAS number of Diethyl 2-[(4-acetylanilino)methylene]malonate is 104007-11-6.
What is the molecular formula of Diethyl 2-[(4-acetylanilino)methylene]malonate?
The molecular formula of Diethyl 2-[(4-acetylanilino)methylene]malonate is C16H19NO5.
What is the molecular weight of Diethyl 2-[(4-acetylanilino)methylene]malonate?
The molecular weight of Diethyl 2-[(4-acetylanilino)methylene]malonate is 305.13 g/mol.
Where can I buy Diethyl 2-[(4-acetylanilino)methylene]malonate?
You can request a quote for Diethyl 2-[(4-acetylanilino)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-[(4-acetylanilino)methylene]malonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-[(4-acetylanilino)methylene]malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.