o-(1,3-Dioxolan-2-yl)phenyl methylnitrosocarbamate
TL;DR: o-(1,3-Dioxolan-2-yl)phenyl methylnitrosocarbamate (CAS 100836-61-1) is a chemical compound with molecular formula C11H12N2O5 and molecular weight 252.07462 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-(1,3-dioxolan-2-yl)phenyl] N-methyl-N-nitrosocarbamate
Also Known As: Nitroso dioxacarb, Nitrosodioxacarb, o-(1,3-Dioxolan-2-yl)phenyl methylnitrosocarbamate, 2-(1,3-dioxolan-2-yl)phenyl methyl(nitroso)carbamate, Methylnitrosocarbamic acid o-(1,3-dioxolan-2-yl)phenyl ester
Technical Specifications
| Molecular Formula | C11H12N2O5 |
| Molecular Weight | 252.07462 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 77.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 252.07462 Da |
| Heavy Atoms | 18 |
| Complexity | 306.0 |
| SMILES | CN(C(=O)OC1=CC=CC=C1C2OCCO2)N=O |
| InChIKey | RIJUYWWRABLOHF-UHFFFAOYSA-N |
Chemical Property Profile of o-(1,3-Dioxolan-2-yl)phenyl methylnitrosocarbamate
Property Insights of o-(1,3-Dioxolan-2-yl)phenyl methylnitrosocarbamate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for o-(1,3-Dioxolan-2-yl)phenyl methylnitrosocarbamate. The TPSA of 77.4 Ų falls within the moderate polarity range, balancing permeability and solubility for o-(1,3-Dioxolan-2-yl)phenyl methylnitrosocarbamate. Following Lipinski's Rule of Five, o-(1,3-Dioxolan-2-yl)phenyl methylnitrosocarbamate has 0 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 o-(1,3-Dioxolan-2-yl)phenyl methylnitrosocarbamate?
The CAS number of o-(1,3-Dioxolan-2-yl)phenyl methylnitrosocarbamate is 100836-61-1.
What is the molecular formula of o-(1,3-Dioxolan-2-yl)phenyl methylnitrosocarbamate?
The molecular formula of o-(1,3-Dioxolan-2-yl)phenyl methylnitrosocarbamate is C11H12N2O5.
What is the molecular weight of o-(1,3-Dioxolan-2-yl)phenyl methylnitrosocarbamate?
The molecular weight of o-(1,3-Dioxolan-2-yl)phenyl methylnitrosocarbamate is 252.07462 g/mol.
Where can I buy o-(1,3-Dioxolan-2-yl)phenyl methylnitrosocarbamate?
You can request a quote for o-(1,3-Dioxolan-2-yl)phenyl methylnitrosocarbamate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for o-(1,3-Dioxolan-2-yl)phenyl methylnitrosocarbamate?
Yes, CoreyChem provides custom synthesis services for o-(1,3-Dioxolan-2-yl)phenyl methylnitrosocarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.