Diethyl acetamido(5-chloropyridin-2-yl)propanedioate
TL;DR: Diethyl acetamido(5-chloropyridin-2-yl)propanedioate (CAS 67938-69-6) is a chemical compound with molecular formula C14H17ClN2O5 and molecular weight 328.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-acetamido-2-(5-chloro-2-pyridinyl)propanedioate
Also Known As: Diethyl acetamido(5-chloropyridin-2-yl)propanedioate, diethyl 2-acetamido- 2-(5-chloropyridin-2-yl)malonate, diethyl 2-acetamido-2-(5-chloropyridin-2-yl)propanedioate, DIETHYL 2-ACETAMIDO-2-(5-CHLORO(PYRIDIN-2-YL))PROPANEDIOATE, RefChem:337951
| Molecular Formula | C14H17ClN2O5 |
|---|---|
| Molecular Weight | 328.08 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 94.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 328.0826 |
| Heavy Atoms | 22 |
| Complexity | 411.0 |
Chemical Identifiers
| CAS Number | 67938-69-6 |
|---|---|
| SMILES | CCOC(=O)C(C1=NC=C(C=C1)Cl)(C(=O)OCC)NC(=O)C |
| InChIKey | SEKIZJHHWJROER-UHFFFAOYSA-N |
Product Overview
Diethyl acetamido(5-chloropyridin-2-yl)propanedioate (CAS 67938-69-6), with molecular formula C14H17ClN2O5 and molecular weight 328.08 g/mol. IUPAC: diethyl 2-acetamido-2-(5-chloro-2-pyridinyl)propanedioate.
Chemical Property Profile of Diethyl acetamido(5-chloropyridin-2-yl)propanedioate
Property Insights of Diethyl acetamido(5-chloropyridin-2-yl)propanedioate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl acetamido(5-chloropyridin-2-yl)propanedioate. The TPSA of 94.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl acetamido(5-chloropyridin-2-yl)propanedioate. Following Lipinski's Rule of Five, Diethyl acetamido(5-chloropyridin-2-yl)propanedioate has 1 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 acetamido(5-chloropyridin-2-yl)propanedioate?
The CAS number of Diethyl acetamido(5-chloropyridin-2-yl)propanedioate is 67938-69-6.
What is the molecular formula of Diethyl acetamido(5-chloropyridin-2-yl)propanedioate?
The molecular formula of Diethyl acetamido(5-chloropyridin-2-yl)propanedioate is C14H17ClN2O5.
What is the molecular weight of Diethyl acetamido(5-chloropyridin-2-yl)propanedioate?
The molecular weight of Diethyl acetamido(5-chloropyridin-2-yl)propanedioate is 328.08 g/mol.
Where can I buy Diethyl acetamido(5-chloropyridin-2-yl)propanedioate?
You can request a quote for Diethyl acetamido(5-chloropyridin-2-yl)propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl acetamido(5-chloropyridin-2-yl)propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl acetamido(5-chloropyridin-2-yl)propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.