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Diethyl[3-(acetylamino)benzyl]propanedioate
TL;DR: Diethyl[3-(acetylamino)benzyl]propanedioate (CAS 71305-29-8) is a chemical compound with molecular formula C16H21NO5 and molecular weight 307.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[(3-acetamidophenyl)methyl]propanedioate
Also Known As: diethyl[3-(acetylamino)benzyl]propanedioate, diethyl 2-[(3-acetamidophenyl)methyl]propanedioate, Diethyl [(3-acetamidophenyl)methyl]propanedioate
| Molecular Formula | C16H21NO5 |
|---|---|
| Molecular Weight | 307.14 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 307.14197 |
| Heavy Atoms | 22 |
| Complexity | 378.0 |
Chemical Identifiers
| CAS Number | 71305-29-8 |
|---|---|
| SMILES | CCOC(=O)C(CC1=CC(=CC=C1)NC(=O)C)C(=O)OCC |
| InChIKey | XLFCZJVZAJMHTR-UHFFFAOYSA-N |
Product Overview
Diethyl[3-(acetylamino)benzyl]propanedioate (CAS 71305-29-8), with molecular formula C16H21NO5 and molecular weight 307.14 g/mol. IUPAC: diethyl 2-[(3-acetamidophenyl)methyl]propanedioate.
Chemical Property Profile of Diethyl[3-(acetylamino)benzyl]propanedioate
Property Insights of Diethyl[3-(acetylamino)benzyl]propanedioate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl[3-(acetylamino)benzyl]propanedioate. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl[3-(acetylamino)benzyl]propanedioate. Following Lipinski's Rule of Five, Diethyl[3-(acetylamino)benzyl]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 Diethyl[3-(acetylamino)benzyl]propanedioate?
The CAS number of Diethyl[3-(acetylamino)benzyl]propanedioate is 71305-29-8.
What is the molecular formula of Diethyl[3-(acetylamino)benzyl]propanedioate?
The molecular formula of Diethyl[3-(acetylamino)benzyl]propanedioate is C16H21NO5.
What is the molecular weight of Diethyl[3-(acetylamino)benzyl]propanedioate?
The molecular weight of Diethyl[3-(acetylamino)benzyl]propanedioate is 307.14 g/mol.
Where can I buy Diethyl[3-(acetylamino)benzyl]propanedioate?
You can request a quote for Diethyl[3-(acetylamino)benzyl]propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl[3-(acetylamino)benzyl]propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl[3-(acetylamino)benzyl]propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.