![1,3-Diethyl 2-[(4-acetamidophenyl)methylidene]propanedioate structure](/static/products/2251/22511-22-4.webp)
1,3-Diethyl 2-[(4-acetamidophenyl)methylidene]propanedioate
TL;DR: 1,3-Diethyl 2-[(4-acetamidophenyl)methylidene]propanedioate (CAS 22511-22-4) 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-acetamidophenyl)methylidene]propanedioate
Also Known As: diethyl [4-(acetylamino)benzylidene]malonate, 1,3-diethyl 2-[(4-acetamidophenyl)methylidene]propanedioate, diethyl 2-[(4-acetamidophenyl)methylidene]propanedioate
| Molecular Formula | C16H19NO5 |
|---|---|
| Molecular Weight | 305.13 g/mol |
| LogP | 2.1546 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 305.1263 |
| Heavy Atoms | 22 |
| Complexity | 554.7039 |
Chemical Identifiers
| CAS Number | 22511-22-4 |
|---|---|
| SMILES | CCOC(=O)C(=CC1=CC=C(C=C1)NC(=O)C)C(=O)OCC |
Product Overview
1,3-Diethyl 2-[(4-acetamidophenyl)methylidene]propanedioate (CAS 22511-22-4), with molecular formula C16H19NO5 and molecular weight 305.13 g/mol. IUPAC: diethyl 2-[(4-acetamidophenyl)methylidene]propanedioate.
Chemical Property Profile of 1,3-Diethyl 2-[(4-acetamidophenyl)methylidene]propanedioate
Property Insights of 1,3-Diethyl 2-[(4-acetamidophenyl)methylidene]propanedioate
The XLogP value of 2.1546 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Diethyl 2-[(4-acetamidophenyl)methylidene]propanedioate. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Diethyl 2-[(4-acetamidophenyl)methylidene]propanedioate. Following Lipinski's Rule of Five, 1,3-Diethyl 2-[(4-acetamidophenyl)methylidene]propanedioate 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 1,3-Diethyl 2-[(4-acetamidophenyl)methylidene]propanedioate?
The CAS number of 1,3-Diethyl 2-[(4-acetamidophenyl)methylidene]propanedioate is 22511-22-4.
What is the molecular formula of 1,3-Diethyl 2-[(4-acetamidophenyl)methylidene]propanedioate?
The molecular formula of 1,3-Diethyl 2-[(4-acetamidophenyl)methylidene]propanedioate is C16H19NO5.
What is the molecular weight of 1,3-Diethyl 2-[(4-acetamidophenyl)methylidene]propanedioate?
The molecular weight of 1,3-Diethyl 2-[(4-acetamidophenyl)methylidene]propanedioate is 305.13 g/mol.
Where can I buy 1,3-Diethyl 2-[(4-acetamidophenyl)methylidene]propanedioate?
You can request a quote for 1,3-Diethyl 2-[(4-acetamidophenyl)methylidene]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-[(4-acetamidophenyl)methylidene]propanedioate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Diethyl 2-[(4-acetamidophenyl)methylidene]propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.