diethyl 2-(N-(2-chloroacetyl)anilino)propanedioate
TL;DR: diethyl 2-(N-(2-chloroacetyl)anilino)propanedioate (CAS 56750-80-2) is a chemical compound with molecular formula C15H18ClNO5 and molecular weight 327.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-(N-(2-chloroacetyl)anilino)propanedioate
Also Known As: Diethyl (2-chloro-N-phenylacetamido)malonate, diethyl[(chloroacetyl)(phenyl)amino]propanedioate, diethyl 2-(N-(2-chloroacetyl)anilino)propanedioate, N-Phenyl-chloracetamidomalonsaeurediaethylester, Diethyl (2-chloro-N-phenylacetamido)propanedioate
| Molecular Formula | C15H18ClNO5 |
|---|---|
| Molecular Weight | 327.09 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 72.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 327.08734 |
| Heavy Atoms | 22 |
| Complexity | 377.0 |
Chemical Identifiers
| CAS Number | 56750-80-2 |
|---|---|
| SMILES | CCOC(=O)C(C(=O)OCC)N(C1=CC=CC=C1)C(=O)CCl |
| InChIKey | GJRUCBXSRBSRKW-UHFFFAOYSA-N |
Product Overview
diethyl 2-(N-(2-chloroacetyl)anilino)propanedioate (CAS 56750-80-2), with molecular formula C15H18ClNO5 and molecular weight 327.09 g/mol. IUPAC: diethyl 2-(N-(2-chloroacetyl)anilino)propanedioate.
Chemical Property Profile of diethyl 2-(N-(2-chloroacetyl)anilino)propanedioate
Property Insights of diethyl 2-(N-(2-chloroacetyl)anilino)propanedioate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for diethyl 2-(N-(2-chloroacetyl)anilino)propanedioate. The TPSA of 72.9 Ų falls within the moderate polarity range, balancing permeability and solubility for diethyl 2-(N-(2-chloroacetyl)anilino)propanedioate. Following Lipinski's Rule of Five, diethyl 2-(N-(2-chloroacetyl)anilino)propanedioate has 0 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-(N-(2-chloroacetyl)anilino)propanedioate?
The CAS number of diethyl 2-(N-(2-chloroacetyl)anilino)propanedioate is 56750-80-2.
What is the molecular formula of diethyl 2-(N-(2-chloroacetyl)anilino)propanedioate?
The molecular formula of diethyl 2-(N-(2-chloroacetyl)anilino)propanedioate is C15H18ClNO5.
What is the molecular weight of diethyl 2-(N-(2-chloroacetyl)anilino)propanedioate?
The molecular weight of diethyl 2-(N-(2-chloroacetyl)anilino)propanedioate is 327.09 g/mol.
Where can I buy diethyl 2-(N-(2-chloroacetyl)anilino)propanedioate?
You can request a quote for diethyl 2-(N-(2-chloroacetyl)anilino)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-(N-(2-chloroacetyl)anilino)propanedioate?
Yes, KEHONG BIO provides custom synthesis services for diethyl 2-(N-(2-chloroacetyl)anilino)propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.