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diethyl 2-acetamido-2-[(2-chlorophenyl)methyl]propanedioate
TL;DR: diethyl 2-acetamido-2-[(2-chlorophenyl)methyl]propanedioate (CAS 6302-00-7) 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-[(2-chlorophenyl)methyl]propanedioate
Also Known As: diethyl 2-acetamido-2-[(2-chlorophenyl)methyl]propanedioate, diethyl acetamido(2-chlorobenzyl)malonate, BIM-0017618.P001, diethyl (acetylamino)(2-chlorobenzyl)propanedioate, diethyl (acetylamino)(2-chlorobenzyl)malonate
| 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 | 422.0 |
Chemical Identifiers
| CAS Number | 6302-00-7 |
|---|---|
| SMILES | CCOC(=O)C(CC1=CC=CC=C1Cl)(C(=O)OCC)NC(=O)C |
| InChIKey | WJRRZECETOECSA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
diethyl 2-acetamido-2-[(2-chlorophenyl)methyl]propanedioate (CAS 6302-00-7), with molecular formula C16H20ClNO5 and molecular weight 341.10 g/mol. IUPAC: diethyl 2-acetamido-2-[(2-chlorophenyl)methyl]propanedioate.
Chemical Property Profile of diethyl 2-acetamido-2-[(2-chlorophenyl)methyl]propanedioate
Property Insights of diethyl 2-acetamido-2-[(2-chlorophenyl)methyl]propanedioate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for diethyl 2-acetamido-2-[(2-chlorophenyl)methyl]propanedioate. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for diethyl 2-acetamido-2-[(2-chlorophenyl)methyl]propanedioate. Following Lipinski's Rule of Five, diethyl 2-acetamido-2-[(2-chlorophenyl)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-[(2-chlorophenyl)methyl]propanedioate?
The CAS number of diethyl 2-acetamido-2-[(2-chlorophenyl)methyl]propanedioate is 6302-00-7.
What is the molecular formula of diethyl 2-acetamido-2-[(2-chlorophenyl)methyl]propanedioate?
The molecular formula of diethyl 2-acetamido-2-[(2-chlorophenyl)methyl]propanedioate is C16H20ClNO5.
What is the molecular weight of diethyl 2-acetamido-2-[(2-chlorophenyl)methyl]propanedioate?
The molecular weight of diethyl 2-acetamido-2-[(2-chlorophenyl)methyl]propanedioate is 341.10 g/mol.
Where can I buy diethyl 2-acetamido-2-[(2-chlorophenyl)methyl]propanedioate?
You can request a quote for diethyl 2-acetamido-2-[(2-chlorophenyl)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-[(2-chlorophenyl)methyl]propanedioate?
Yes, KEHONG BIO provides custom synthesis services for diethyl 2-acetamido-2-[(2-chlorophenyl)methyl]propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.