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Diethyl 2-acetamido-2-[(3-methylphenyl)methyl]propanedioate
TL;DR: Diethyl 2-acetamido-2-[(3-methylphenyl)methyl]propanedioate (CAS 63020-56-4) is a chemical compound with molecular formula C17H23NO5 and molecular weight 321.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-acetamido-2-[(3-methylphenyl)methyl]propanedioate
Also Known As: Diethyl 2-acetamido-2-(3-methylbenzyl)malonate, diethyl 2-acetamido-2-[(3-methylphenyl)methyl]propanedioate, diethyl2-acetamido-2-[ methyl]propanedioate, diethyl(acetylamino)(3-methylbenzyl)propanedioate, Diethyl2-acetamido-2-(3-methylbenzyl)malonate
| Molecular Formula | C17H23NO5 |
|---|---|
| Molecular Weight | 321.16 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 321.15762 |
| Heavy Atoms | 23 |
| Complexity | 417.0 |
Chemical Identifiers
| CAS Number | 63020-56-4 |
|---|---|
| SMILES | CCOC(=O)C(CC1=CC=CC(=C1)C)(C(=O)OCC)NC(=O)C |
| InChIKey | UQTRUCMAZMKNJF-UHFFFAOYSA-N |
Product Overview
Diethyl 2-acetamido-2-[(3-methylphenyl)methyl]propanedioate (CAS 63020-56-4), with molecular formula C17H23NO5 and molecular weight 321.16 g/mol. IUPAC: diethyl 2-acetamido-2-[(3-methylphenyl)methyl]propanedioate.
Chemical Property Profile of Diethyl 2-acetamido-2-[(3-methylphenyl)methyl]propanedioate
Property Insights of Diethyl 2-acetamido-2-[(3-methylphenyl)methyl]propanedioate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-acetamido-2-[(3-methylphenyl)methyl]propanedioate. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-acetamido-2-[(3-methylphenyl)methyl]propanedioate. Following Lipinski's Rule of Five, Diethyl 2-acetamido-2-[(3-methylphenyl)methyl]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 2-acetamido-2-[(3-methylphenyl)methyl]propanedioate?
The CAS number of Diethyl 2-acetamido-2-[(3-methylphenyl)methyl]propanedioate is 63020-56-4.
What is the molecular formula of Diethyl 2-acetamido-2-[(3-methylphenyl)methyl]propanedioate?
The molecular formula of Diethyl 2-acetamido-2-[(3-methylphenyl)methyl]propanedioate is C17H23NO5.
What is the molecular weight of Diethyl 2-acetamido-2-[(3-methylphenyl)methyl]propanedioate?
The molecular weight of Diethyl 2-acetamido-2-[(3-methylphenyl)methyl]propanedioate is 321.16 g/mol.
Where can I buy Diethyl 2-acetamido-2-[(3-methylphenyl)methyl]propanedioate?
You can request a quote for Diethyl 2-acetamido-2-[(3-methylphenyl)methyl]propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-acetamido-2-[(3-methylphenyl)methyl]propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-acetamido-2-[(3-methylphenyl)methyl]propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.