Diethyl(acetylamino)(3-aminobenzyl)propanedioate
TL;DR: Diethyl(acetylamino)(3-aminobenzyl)propanedioate (CAS 6314-42-7) is a chemical compound with molecular formula C16H22N2O5 and molecular weight 322.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-acetamido-2-[(3-aminophenyl)methyl]propanedioate
Also Known As: diethyl(acetylamino)(3-aminobenzyl)propanedioate, diethyl 3-aminobenzylacetamidomalonate, diethyl 2-acetamido-2-[(3-aminophenyl)methyl]propanedioate, Diethyl acetamido[(3-aminophenyl)methyl]propanedioate
| Molecular Formula | C16H22N2O5 |
|---|---|
| Molecular Weight | 322.15 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 322.15286 |
| Heavy Atoms | 23 |
| Complexity | 420.0 |
Chemical Identifiers
| CAS Number | 6314-42-7 |
|---|---|
| SMILES | CCOC(=O)C(CC1=CC(=CC=C1)N)(C(=O)OCC)NC(=O)C |
| InChIKey | MLFNQZQJTYIVKR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl(acetylamino)(3-aminobenzyl)propanedioate (CAS 6314-42-7), with molecular formula C16H22N2O5 and molecular weight 322.15 g/mol. IUPAC: diethyl 2-acetamido-2-[(3-aminophenyl)methyl]propanedioate.
Chemical Property Profile of Diethyl(acetylamino)(3-aminobenzyl)propanedioate
Property Insights of Diethyl(acetylamino)(3-aminobenzyl)propanedioate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl(acetylamino)(3-aminobenzyl)propanedioate. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl(acetylamino)(3-aminobenzyl)propanedioate. Following Lipinski's Rule of Five, Diethyl(acetylamino)(3-aminobenzyl)propanedioate has 2 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(acetylamino)(3-aminobenzyl)propanedioate?
The CAS number of Diethyl(acetylamino)(3-aminobenzyl)propanedioate is 6314-42-7.
What is the molecular formula of Diethyl(acetylamino)(3-aminobenzyl)propanedioate?
The molecular formula of Diethyl(acetylamino)(3-aminobenzyl)propanedioate is C16H22N2O5.
What is the molecular weight of Diethyl(acetylamino)(3-aminobenzyl)propanedioate?
The molecular weight of Diethyl(acetylamino)(3-aminobenzyl)propanedioate is 322.15 g/mol.
Where can I buy Diethyl(acetylamino)(3-aminobenzyl)propanedioate?
You can request a quote for Diethyl(acetylamino)(3-aminobenzyl)propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl(acetylamino)(3-aminobenzyl)propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl(acetylamino)(3-aminobenzyl)propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.