3,5-Dimethylphenyl methylnitrosocarbamate
TL;DR: 3,5-Dimethylphenyl methylnitrosocarbamate (CAS 58139-34-7) is a chemical compound with molecular formula C10H12N2O3 and molecular weight 208.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,5-dimethylphenyl) N-methyl-N-nitrosocarbamate
Also Known As: Maqbarl, nitrosated, Maqbarl, nitrosated [Japanese], 3,5-Dimethylphenyl methylnitrosocarbamate, N-Nitroso-3,5-xylyl-N-methylcarbamate, 3,5-Xylyl N-methylcarbamate, nitrosated
| Molecular Formula | C10H12N2O3 |
|---|---|
| Molecular Weight | 208.08 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 208.0848 |
| Heavy Atoms | 15 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 58139-34-7 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)OC(=O)N(C)N=O)C |
| InChIKey | LNHCDFPBNISRKG-UHFFFAOYSA-N |
Product Overview
3,5-Dimethylphenyl methylnitrosocarbamate (CAS 58139-34-7), with molecular formula C10H12N2O3 and molecular weight 208.08 g/mol. IUPAC: (3,5-dimethylphenyl) N-methyl-N-nitrosocarbamate.
Chemical Property Profile of 3,5-Dimethylphenyl methylnitrosocarbamate
Property Insights of 3,5-Dimethylphenyl methylnitrosocarbamate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Dimethylphenyl methylnitrosocarbamate. With a topological polar surface area (TPSA) of 59.0 Ų, 3,5-Dimethylphenyl methylnitrosocarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Dimethylphenyl 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
Frequently Asked Questions
What is the CAS number of 3,5-Dimethylphenyl methylnitrosocarbamate?
The CAS number of 3,5-Dimethylphenyl methylnitrosocarbamate is 58139-34-7.
What is the molecular formula of 3,5-Dimethylphenyl methylnitrosocarbamate?
The molecular formula of 3,5-Dimethylphenyl methylnitrosocarbamate is C10H12N2O3.
What is the molecular weight of 3,5-Dimethylphenyl methylnitrosocarbamate?
The molecular weight of 3,5-Dimethylphenyl methylnitrosocarbamate is 208.08 g/mol.
Where can I buy 3,5-Dimethylphenyl methylnitrosocarbamate?
You can request a quote for 3,5-Dimethylphenyl methylnitrosocarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dimethylphenyl methylnitrosocarbamate?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dimethylphenyl methylnitrosocarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.