Diethyl(acetylamino)(4-chlorobenzyl)propanedioate
TL;DR: Diethyl(acetylamino)(4-chlorobenzyl)propanedioate (CAS 823-61-0) is a chemical compound with molecular formula C16H20ClNO5 and molecular weight 341.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-acetamido-2-[(4-chlorophenyl)methyl]propanedioate
Also Known As: diethyl(acetylamino)(4-chlorobenzyl)propanedioate, diethyl 2-acetamido-2-[(4-chlorophenyl)methyl]propanedioate, Diethyl acetamido[(4-chlorophenyl)methyl]propanedioate, Propanedioic acid,2-(acetylamino)-2-[(4-chlorophenyl)methyl]-, 1,3-diethyl ester
| Molecular Formula | C16H20ClNO5 |
|---|---|
| Molecular Weight | 341.10 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 341.103 |
| Heavy Atoms | 23 |
| Complexity | 414.0 |
Chemical Identifiers
| CAS Number | 823-61-0 |
|---|---|
| SMILES | CCOC(=O)C(CC1=CC=C(C=C1)Cl)(C(=O)OCC)NC(=O)C |
| InChIKey | HBZSFXOTCKUYOM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl(acetylamino)(4-chlorobenzyl)propanedioate (CAS 823-61-0), with molecular formula C16H20ClNO5 and molecular weight 341.10 g/mol. IUPAC: diethyl 2-acetamido-2-[(4-chlorophenyl)methyl]propanedioate.
Chemical Property Profile of Diethyl(acetylamino)(4-chlorobenzyl)propanedioate
Property Insights of Diethyl(acetylamino)(4-chlorobenzyl)propanedioate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl(acetylamino)(4-chlorobenzyl)propanedioate. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl(acetylamino)(4-chlorobenzyl)propanedioate. Following Lipinski's Rule of Five, Diethyl(acetylamino)(4-chlorobenzyl)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(acetylamino)(4-chlorobenzyl)propanedioate?
The CAS number of Diethyl(acetylamino)(4-chlorobenzyl)propanedioate is 823-61-0.
What is the molecular formula of Diethyl(acetylamino)(4-chlorobenzyl)propanedioate?
The molecular formula of Diethyl(acetylamino)(4-chlorobenzyl)propanedioate is C16H20ClNO5.
What is the molecular weight of Diethyl(acetylamino)(4-chlorobenzyl)propanedioate?
The molecular weight of Diethyl(acetylamino)(4-chlorobenzyl)propanedioate is 341.10 g/mol.
Where can I buy Diethyl(acetylamino)(4-chlorobenzyl)propanedioate?
You can request a quote for Diethyl(acetylamino)(4-chlorobenzyl)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)(4-chlorobenzyl)propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl(acetylamino)(4-chlorobenzyl)propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.