Diethyl 4-chloro-5-nitro-2,6-pyridinedicarbamate
TL;DR: Diethyl 4-chloro-5-nitro-2,6-pyridinedicarbamate (CAS 53995-21-4) is a chemical compound with molecular formula C11H13ClN4O6 and molecular weight 332.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[4-chloro-6-(ethoxycarbonylamino)-3-nitro-2-pyridinyl]carbamate
Also Known As: 4-chloro-3-methyl pyridine, 4-Chlor-3-methyl-pyridin, diethyl 4-chloro-5-nitro-2,6-pyridinedicarbamate, diethyl(4-chloro-3-nitropyridine-2,6-diyl)biscarbamate, Diethyl (4-chloro-3-nitropyridine-2,6-diyl)bis(hydrogen carbonimidate)
| Molecular Formula | C11H13ClN4O6 |
|---|---|
| Molecular Weight | 332.05 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 332.05237 |
| Heavy Atoms | 22 |
| Complexity | 418.0 |
Chemical Identifiers
| CAS Number | 53995-21-4 |
|---|---|
| SMILES | CCOC(=O)NC1=NC(=C(C(=C1)Cl)[N+](=O)[O-])NC(=O)OCC |
| InChIKey | RCLROVZCVVCHGT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl 4-chloro-5-nitro-2,6-pyridinedicarbamate (CAS 53995-21-4), with molecular formula C11H13ClN4O6 and molecular weight 332.05 g/mol. IUPAC: ethyl N-[4-chloro-6-(ethoxycarbonylamino)-3-nitro-2-pyridinyl]carbamate.
Chemical Property Profile of Diethyl 4-chloro-5-nitro-2,6-pyridinedicarbamate
Property Insights of Diethyl 4-chloro-5-nitro-2,6-pyridinedicarbamate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 4-chloro-5-nitro-2,6-pyridinedicarbamate. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 4-chloro-5-nitro-2,6-pyridinedicarbamate. Following Lipinski's Rule of Five, Diethyl 4-chloro-5-nitro-2,6-pyridinedicarbamate has 2 hydrogen bond donor(s) and 7 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 4-chloro-5-nitro-2,6-pyridinedicarbamate?
The CAS number of Diethyl 4-chloro-5-nitro-2,6-pyridinedicarbamate is 53995-21-4.
What is the molecular formula of Diethyl 4-chloro-5-nitro-2,6-pyridinedicarbamate?
The molecular formula of Diethyl 4-chloro-5-nitro-2,6-pyridinedicarbamate is C11H13ClN4O6.
What is the molecular weight of Diethyl 4-chloro-5-nitro-2,6-pyridinedicarbamate?
The molecular weight of Diethyl 4-chloro-5-nitro-2,6-pyridinedicarbamate is 332.05 g/mol.
Where can I buy Diethyl 4-chloro-5-nitro-2,6-pyridinedicarbamate?
You can request a quote for Diethyl 4-chloro-5-nitro-2,6-pyridinedicarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 4-chloro-5-nitro-2,6-pyridinedicarbamate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 4-chloro-5-nitro-2,6-pyridinedicarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.