甲基氨基甲酸2-甲基苯酯
TL;DR: 甲基氨基甲酸2-甲基苯酯 (CAS 1128-78-5) is a chemical compound with molecular formula C9H11NO2 and molecular weight 165.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
甲基氨基甲酸2-甲基苯酯
(2-methylphenyl) N-methylcarbamate
Also Known As: o-Tolylmethylcarbamate, 2-Methylphenyl methylcarbamate, 2-Methylphenyl-N-methylcarbamate, (2-methylphenyl) N-methylcarbamate, 2-methylphenyl N-methylcarbamate
| Molecular Formula | C9H11NO2 |
|---|---|
| Molecular Weight | 165.08 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 165.07898 |
| Heavy Atoms | 12 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 1128-78-5 |
|---|---|
| SMILES | CC1=CC=CC=C1OC(=O)NC |
| InChIKey | JDIMVGGWYBWUIS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
甲基氨基甲酸2-甲基苯酯 (CAS 1128-78-5), with molecular formula C9H11NO2 and molecular weight 165.08 g/mol. IUPAC: (2-methylphenyl) N-methylcarbamate.
Chemical Property Profile of 甲基氨基甲酸2-甲基苯酯
Property Insights of 甲基氨基甲酸2-甲基苯酯
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 甲基氨基甲酸2-甲基苯酯. With a topological polar surface area (TPSA) of 38.3 Ų, 甲基氨基甲酸2-甲基苯酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 甲基氨基甲酸2-甲基苯酯 has 1 hydrogen bond donor(s) and 2 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 甲基氨基甲酸2-甲基苯酯?
The CAS number of 甲基氨基甲酸2-甲基苯酯 is 1128-78-5.
What is the molecular formula of 甲基氨基甲酸2-甲基苯酯?
The molecular formula of 甲基氨基甲酸2-甲基苯酯 is C9H11NO2.
What is the molecular weight of 甲基氨基甲酸2-甲基苯酯?
The molecular weight of 甲基氨基甲酸2-甲基苯酯 is 165.08 g/mol.
Where can I buy 甲基氨基甲酸2-甲基苯酯?
You can request a quote for 甲基氨基甲酸2-甲基苯酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 甲基氨基甲酸2-甲基苯酯?
Yes, KEHONG BIO provides custom synthesis services for 甲基氨基甲酸2-甲基苯酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.