3-Methylphenyl methylnitrosocarbamate
TL;DR: 3-Methylphenyl methylnitrosocarbamate (CAS 58139-35-8) is a chemical compound with molecular formula C9H10N2O3 and molecular weight 194.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-methylphenyl) N-methyl-N-nitrosocarbamate
Also Known As: Nitroso-mtmc, Nitroso Tsumacide, Tsumacide, nitrosated, 3-Methylphenyl methylnitrosocarbamate, Tsumacide, nitrosated [Japanese]
| Molecular Formula | C9H10N2O3 |
|---|---|
| Molecular Weight | 194.07 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 194.06914 |
| Heavy Atoms | 14 |
| Complexity | 220.0 |
Chemical Identifiers
| CAS Number | 58139-35-8 |
|---|---|
| SMILES | CC1=CC(=CC=C1)OC(=O)N(C)N=O |
| InChIKey | NZYUVIMKVYSWHV-UHFFFAOYSA-N |
Product Overview
3-Methylphenyl methylnitrosocarbamate (CAS 58139-35-8), with molecular formula C9H10N2O3 and molecular weight 194.07 g/mol. IUPAC: (3-methylphenyl) N-methyl-N-nitrosocarbamate.
Chemical Property Profile of 3-Methylphenyl methylnitrosocarbamate
Property Insights of 3-Methylphenyl methylnitrosocarbamate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methylphenyl methylnitrosocarbamate. With a topological polar surface area (TPSA) of 59.0 Ų, 3-Methylphenyl methylnitrosocarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methylphenyl 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-Methylphenyl methylnitrosocarbamate?
The CAS number of 3-Methylphenyl methylnitrosocarbamate is 58139-35-8.
What is the molecular formula of 3-Methylphenyl methylnitrosocarbamate?
The molecular formula of 3-Methylphenyl methylnitrosocarbamate is C9H10N2O3.
What is the molecular weight of 3-Methylphenyl methylnitrosocarbamate?
The molecular weight of 3-Methylphenyl methylnitrosocarbamate is 194.07 g/mol.
Where can I buy 3-Methylphenyl methylnitrosocarbamate?
You can request a quote for 3-Methylphenyl methylnitrosocarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methylphenyl methylnitrosocarbamate?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylphenyl methylnitrosocarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.