Diethyl acetamido(4-methylbenzyl)malonate
TL;DR: Diethyl acetamido(4-methylbenzyl)malonate (CAS 82291-79-0) 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-[(4-methylphenyl)methyl]propanedioate
Also Known As: diethyl acetamido(4-methylbenzyl)malonate, diethyl 2-acetamido-2-[(4-methylphenyl)methyl]propanedioate, J1.980.220E, Benzamide,2-chloro-N-(3-chlorophenyl)-N-hydroxy, diethyl 2-acetamido-2-(p-tolylmethyl)propanedioate
| 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 | 409.0 |
Chemical Identifiers
| CAS Number | 82291-79-0 |
|---|---|
| SMILES | CCOC(=O)C(CC1=CC=C(C=C1)C)(C(=O)OCC)NC(=O)C |
| InChIKey | VGFIIMBBIHQYKL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl acetamido(4-methylbenzyl)malonate (CAS 82291-79-0), with molecular formula C17H23NO5 and molecular weight 321.16 g/mol. IUPAC: diethyl 2-acetamido-2-[(4-methylphenyl)methyl]propanedioate.
Chemical Property Profile of Diethyl acetamido(4-methylbenzyl)malonate
Property Insights of Diethyl acetamido(4-methylbenzyl)malonate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl acetamido(4-methylbenzyl)malonate. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl acetamido(4-methylbenzyl)malonate. Following Lipinski's Rule of Five, Diethyl acetamido(4-methylbenzyl)malonate 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 acetamido(4-methylbenzyl)malonate?
The CAS number of Diethyl acetamido(4-methylbenzyl)malonate is 82291-79-0.
What is the molecular formula of Diethyl acetamido(4-methylbenzyl)malonate?
The molecular formula of Diethyl acetamido(4-methylbenzyl)malonate is C17H23NO5.
What is the molecular weight of Diethyl acetamido(4-methylbenzyl)malonate?
The molecular weight of Diethyl acetamido(4-methylbenzyl)malonate is 321.16 g/mol.
Where can I buy Diethyl acetamido(4-methylbenzyl)malonate?
You can request a quote for Diethyl acetamido(4-methylbenzyl)malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl acetamido(4-methylbenzyl)malonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl acetamido(4-methylbenzyl)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.