ethyl N-(3-nitropyridin-4-yl)carbamate
TL;DR: ethyl N-(3-nitropyridin-4-yl)carbamate (CAS 90223-38-4) is a chemical compound with molecular formula C8H9N3O4 and molecular weight 211.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-(3-nitro-4-pyridinyl)carbamate
Also Known As: ethyl 3-nitropyridin-4-ylcarbaMate, ethyl (3-nitropyridin-4-yl)carbamate, ethyl N-(3-nitropyridin-4-yl)carbamate, Ethyl (3-nitro-4-pyridinyl)carbamate, Ethyl(3-nitro-4-pyridinyl)carbamate
| Molecular Formula | C8H9N3O4 |
|---|---|
| Molecular Weight | 211.06 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 97.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 211.05931 |
| Heavy Atoms | 15 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 90223-38-4 |
|---|---|
| SMILES | CCOC(=O)NC1=C(C=NC=C1)[N+](=O)[O-] |
| InChIKey | VENNERPQXXLLRT-UHFFFAOYSA-N |
Product Overview
ethyl N-(3-nitropyridin-4-yl)carbamate (CAS 90223-38-4), with molecular formula C8H9N3O4 and molecular weight 211.06 g/mol. IUPAC: ethyl N-(3-nitro-4-pyridinyl)carbamate.
Chemical Property Profile of ethyl N-(3-nitropyridin-4-yl)carbamate
Property Insights of ethyl N-(3-nitropyridin-4-yl)carbamate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl N-(3-nitropyridin-4-yl)carbamate. The TPSA of 97.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl N-(3-nitropyridin-4-yl)carbamate. Following Lipinski's Rule of Five, ethyl N-(3-nitropyridin-4-yl)carbamate 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 ethyl N-(3-nitropyridin-4-yl)carbamate?
The CAS number of ethyl N-(3-nitropyridin-4-yl)carbamate is 90223-38-4.
What is the molecular formula of ethyl N-(3-nitropyridin-4-yl)carbamate?
The molecular formula of ethyl N-(3-nitropyridin-4-yl)carbamate is C8H9N3O4.
What is the molecular weight of ethyl N-(3-nitropyridin-4-yl)carbamate?
The molecular weight of ethyl N-(3-nitropyridin-4-yl)carbamate is 211.06 g/mol.
Where can I buy ethyl N-(3-nitropyridin-4-yl)carbamate?
You can request a quote for ethyl N-(3-nitropyridin-4-yl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl N-(3-nitropyridin-4-yl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for ethyl N-(3-nitropyridin-4-yl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.