Carbamic acid, N-methyl-, 1,6-dinitro-2-naphthyl ester
TL;DR: Carbamic acid, N-methyl-, 1,6-dinitro-2-naphthyl ester (CAS 63982-50-3) is a chemical compound with molecular formula C12H9N3O6 and molecular weight 291.04913 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1,6-dinitronaphthalen-2-yl) N-methylcarbamate
Also Known As: CARBAMIC ACID, N-METHYL-, 1,6-DINITRO-2-NAPHTHYL ESTER, N-Methylcarbamicacid1,6-dinitro-2-naphtylester, (1,6-dinitronaphthalen-2-yl) N-methylcarbamate, 1,6-Dinitronaphthalen-2-yl methylcarbamate, N-Methylcarbamic acid 1,6-dinitro-2-naphthyl ester
Technical Specifications
| Molecular Formula | C12H9N3O6 |
| Molecular Weight | 291.04913 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 130.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 291.04913 Da |
| Heavy Atoms | 21 |
| Complexity | 432.0 |
| SMILES | CNC(=O)OC1=C(C2=C(C=C1)C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | JNUMKCKRNVODQZ-UHFFFAOYSA-N |
Chemical Property Profile of Carbamic acid, N-methyl-, 1,6-dinitro-2-naphthyl ester
Property Insights of Carbamic acid, N-methyl-, 1,6-dinitro-2-naphthyl ester
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamic acid, N-methyl-, 1,6-dinitro-2-naphthyl ester. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamic acid, N-methyl-, 1,6-dinitro-2-naphthyl ester. Following Lipinski's Rule of Five, Carbamic acid, N-methyl-, 1,6-dinitro-2-naphthyl ester 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
What is the CAS number of Carbamic acid, N-methyl-, 1,6-dinitro-2-naphthyl ester?
The CAS number of Carbamic acid, N-methyl-, 1,6-dinitro-2-naphthyl ester is 63982-50-3.
What is the molecular formula of Carbamic acid, N-methyl-, 1,6-dinitro-2-naphthyl ester?
The molecular formula of Carbamic acid, N-methyl-, 1,6-dinitro-2-naphthyl ester is C12H9N3O6.
What is the molecular weight of Carbamic acid, N-methyl-, 1,6-dinitro-2-naphthyl ester?
The molecular weight of Carbamic acid, N-methyl-, 1,6-dinitro-2-naphthyl ester is 291.04913 g/mol.
Where can I buy Carbamic acid, N-methyl-, 1,6-dinitro-2-naphthyl ester?
You can request a quote for Carbamic acid, N-methyl-, 1,6-dinitro-2-naphthyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Carbamic acid, N-methyl-, 1,6-dinitro-2-naphthyl ester?
Yes, CoreyChem provides custom synthesis services for Carbamic acid, N-methyl-, 1,6-dinitro-2-naphthyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.