2-Isopropylphenyl methylnitrosocarbamate
TL;DR: 2-Isopropylphenyl methylnitrosocarbamate (CAS 58139-32-5) is a chemical compound with molecular formula C11H14N2O3 and molecular weight 222.10045 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2-propan-2-ylphenyl) N-methyl-N-nitrosocarbamate
Also Known As: Mipsin, nitrosated, Mipsin, nitrosated [Japanese], 2-Isopropylphenyl methylnitrosocarbamate, N-Nitroso-2-isopropyl-N-methylcarbamate, 2-Isopropylphenyl N-methylcarbamate, nitrosated
Technical Specifications
| Molecular Formula | C11H14N2O3 |
| Molecular Weight | 222.10045 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 59.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 222.10045 Da |
| Heavy Atoms | 16 |
| Complexity | 256.0 |
| SMILES | CC(C)C1=CC=CC=C1OC(=O)N(C)N=O |
| InChIKey | NXJJQHRGUIGHMY-UHFFFAOYSA-N |
Chemical Property Profile of 2-Isopropylphenyl methylnitrosocarbamate
Property Insights of 2-Isopropylphenyl methylnitrosocarbamate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Isopropylphenyl methylnitrosocarbamate. With a topological polar surface area (TPSA) of 59.0 Ų, 2-Isopropylphenyl methylnitrosocarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Isopropylphenyl methylnitrosocarbamate has 0 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 2-Isopropylphenyl methylnitrosocarbamate?
The CAS number of 2-Isopropylphenyl methylnitrosocarbamate is 58139-32-5.
What is the molecular formula of 2-Isopropylphenyl methylnitrosocarbamate?
The molecular formula of 2-Isopropylphenyl methylnitrosocarbamate is C11H14N2O3.
What is the molecular weight of 2-Isopropylphenyl methylnitrosocarbamate?
The molecular weight of 2-Isopropylphenyl methylnitrosocarbamate is 222.10045 g/mol.
Where can I buy 2-Isopropylphenyl methylnitrosocarbamate?
You can request a quote for 2-Isopropylphenyl methylnitrosocarbamate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Isopropylphenyl methylnitrosocarbamate?
Yes, CoreyChem provides custom synthesis services for 2-Isopropylphenyl methylnitrosocarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.