Carbamic acid, N-methyl-, 4-nitrophenyl ester
TL;DR: Carbamic acid, N-methyl-, 4-nitrophenyl ester (CAS 5819-21-6) is a chemical compound with molecular formula C8H8N2O4 and molecular weight 196.0484 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-nitrophenyl) N-methylcarbamate
Also Known As: 4-Nitrophenyl methylcarbamate, 4-nitrophenyl N-methylcarbamate, p-Nitrophenyl methylcarbamate, (4-nitrophenyl) N-methylcarbamate, Ethyl-4-nitrophenylcarbamate
Application Areas
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H8N2O4 |
| Molecular Weight | 196.0484 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 84.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 196.0484 Da |
| Heavy Atoms | 14 |
| Complexity | 218.0 |
| SMILES | CNC(=O)OC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | CKMRVKWJCOOIFK-UHFFFAOYSA-N |
Chemical Property Profile of Carbamic acid, N-methyl-, 4-nitrophenyl ester
Property Insights of Carbamic acid, N-methyl-, 4-nitrophenyl ester
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamic acid, N-methyl-, 4-nitrophenyl ester. The TPSA of 84.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamic acid, N-methyl-, 4-nitrophenyl ester. Following Lipinski's Rule of Five, Carbamic acid, N-methyl-, 4-nitrophenyl ester has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Carbamic acid, N-methyl-, 4-nitrophenyl ester?
The CAS number of Carbamic acid, N-methyl-, 4-nitrophenyl ester is 5819-21-6.
What is the molecular formula of Carbamic acid, N-methyl-, 4-nitrophenyl ester?
The molecular formula of Carbamic acid, N-methyl-, 4-nitrophenyl ester is C8H8N2O4.
What is the molecular weight of Carbamic acid, N-methyl-, 4-nitrophenyl ester?
The molecular weight of Carbamic acid, N-methyl-, 4-nitrophenyl ester is 196.0484 g/mol.
Where can I buy Carbamic acid, N-methyl-, 4-nitrophenyl ester?
You can request a quote for Carbamic acid, N-methyl-, 4-nitrophenyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Carbamic acid, N-methyl-, 4-nitrophenyl ester?
Yes, CoreyChem provides custom synthesis services for Carbamic acid, N-methyl-, 4-nitrophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.