3,5-二甲基苯基-N-甲基氨基甲酸酯
TL;DR: 3,5-二甲基苯基-N-甲基氨基甲酸酯 (CAS 2655-14-3) is a chemical compound with molecular formula C10H13NO2 and molecular weight 179.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-二甲基苯基-N-甲基氨基甲酸酯
(3,5-dimethylphenyl) N-methylcarbamate
Also Known As: Cosban, Macbal, Maqbarl, XMC (pesticide), Carbaron
| Molecular Formula | C10H13NO2 |
|---|---|
| Molecular Weight | 179.09 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 179.09464 |
| Heavy Atoms | 13 |
| Complexity | 172.0 |
| Melting Point | 99 °C |
| Density | 0.54 |
| Solubility | Practically insoluble in water; soluble in most organic solvents including benzene, cyclohexanone, 3,5,5-trimethylcyclohex-2-enone. |
| Vapor Pressure | 0.00036 [mmHg] |
Chemical Identifiers
| CAS Number | 2655-14-3 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)OC(=O)NC)C |
| InChIKey | CVQODEWAPZVVBU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-二甲基苯基-N-甲基氨基甲酸酯 (CAS 2655-14-3), with molecular formula C10H13NO2 and molecular weight 179.09 g/mol. IUPAC: (3,5-dimethylphenyl) N-methylcarbamate.
Chemical Property Profile of 3,5-二甲基苯基-N-甲基氨基甲酸酯
Property Insights of 3,5-二甲基苯基-N-甲基氨基甲酸酯
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-二甲基苯基-N-甲基氨基甲酸酯. With a topological polar surface area (TPSA) of 38.3 Ų, 3,5-二甲基苯基-N-甲基氨基甲酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-二甲基苯基-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 3,5-二甲基苯基-N-甲基氨基甲酸酯?
The CAS number of 3,5-二甲基苯基-N-甲基氨基甲酸酯 is 2655-14-3.
What is the molecular formula of 3,5-二甲基苯基-N-甲基氨基甲酸酯?
The molecular formula of 3,5-二甲基苯基-N-甲基氨基甲酸酯 is C10H13NO2.
What is the molecular weight of 3,5-二甲基苯基-N-甲基氨基甲酸酯?
The molecular weight of 3,5-二甲基苯基-N-甲基氨基甲酸酯 is 179.09 g/mol.
Where can I buy 3,5-二甲基苯基-N-甲基氨基甲酸酯?
You can request a quote for 3,5-二甲基苯基-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 3,5-二甲基苯基-N-甲基氨基甲酸酯?
Yes, KEHONG BIO provides custom synthesis services for 3,5-二甲基苯基-N-甲基氨基甲酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.