3,4,5-三甲基苯基-N-甲基氨基甲酸酯
TL;DR: 3,4,5-三甲基苯基-N-甲基氨基甲酸酯 (CAS 2686-99-9) is a chemical compound with molecular formula C11H15NO2 and molecular weight 193.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,5-三甲基苯基-N-甲基氨基甲酸酯
(3,4,5-trimethylphenyl) N-methylcarbamate
Also Known As: 3,4,5-Trimethacarb, Trimethacarb, Broot, Landrin 1, 3,4,5-Trimethylphenyl methylcarbamate
| Molecular Formula | C11H15NO2 |
|---|---|
| Molecular Weight | 193.11 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 193.11028 |
| Heavy Atoms | 14 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 2686-99-9 |
|---|---|
| SMILES | CC1=CC(=CC(=C1C)C)OC(=O)NC |
| InChIKey | AUQAUAIUNJIIEP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4,5-三甲基苯基-N-甲基氨基甲酸酯 (CAS 2686-99-9), with molecular formula C11H15NO2 and molecular weight 193.11 g/mol. IUPAC: (3,4,5-trimethylphenyl) N-methylcarbamate.
Chemical Property Profile of 3,4,5-三甲基苯基-N-甲基氨基甲酸酯
Property Insights of 3,4,5-三甲基苯基-N-甲基氨基甲酸酯
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4,5-三甲基苯基-N-甲基氨基甲酸酯. With a topological polar surface area (TPSA) of 38.3 Ų, 3,4,5-三甲基苯基-N-甲基氨基甲酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4,5-三甲基苯基-N-甲基氨基甲酸酯 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 3,4,5-三甲基苯基-N-甲基氨基甲酸酯?
The CAS number of 3,4,5-三甲基苯基-N-甲基氨基甲酸酯 is 2686-99-9.
What is the molecular formula of 3,4,5-三甲基苯基-N-甲基氨基甲酸酯?
The molecular formula of 3,4,5-三甲基苯基-N-甲基氨基甲酸酯 is C11H15NO2.
What is the molecular weight of 3,4,5-三甲基苯基-N-甲基氨基甲酸酯?
The molecular weight of 3,4,5-三甲基苯基-N-甲基氨基甲酸酯 is 193.11 g/mol.
Where can I buy 3,4,5-三甲基苯基-N-甲基氨基甲酸酯?
You can request a quote for 3,4,5-三甲基苯基-N-甲基氨基甲酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4,5-三甲基苯基-N-甲基氨基甲酸酯?
Yes, KEHONG BIO provides custom synthesis services for 3,4,5-三甲基苯基-N-甲基氨基甲酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.