间异丙威
TL;DR: 间异丙威 (CAS 64-00-6) 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.
间异丙威
(3-propan-2-ylphenyl) N-methylcarbamate
Also Known As: m-Cumenyl methylcarbamate, Hercules 5727, Compound 10854, m-Cumenol methylcarbamate, 3-Isopropylphenyl methylcarbamate
| Molecular Formula | C11H15NO2 |
|---|---|
| Molecular Weight | 193.11 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 193.11028 |
| Heavy Atoms | 14 |
| Complexity | 192.0 |
| Melting Point | 162 to 73.9 °C |
| Boiling Point | 143 °C @760 [mm Hg] |
| Solubility | 10% in isophorone; 10% in xylene; 20% in toluene; 20% in toluene; 40% in isopropanol; 50% in acetone; 60% in dimethylformamide. Practically insoluble in cyclohexane. |
| Vapor Pressure | 0.00439 [mmHg] |
Chemical Identifiers
| CAS Number | 64-00-6 |
|---|---|
| SMILES | CC(C)C1=CC(=CC=C1)OC(=O)NC |
| InChIKey | GYKXQTKSWLAUIT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
间异丙威 (CAS 64-00-6), with molecular formula C11H15NO2 and molecular weight 193.11 g/mol. IUPAC: (3-propan-2-ylphenyl) N-methylcarbamate.
Chemical Property Profile of 间异丙威
Property Insights of 间异丙威
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 间异丙威. With a topological polar surface area (TPSA) of 38.3 Ų, 间异丙威 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 间异丙威 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 间异丙威?
The CAS number of 间异丙威 is 64-00-6.
What is the molecular formula of 间异丙威?
The molecular formula of 间异丙威 is C11H15NO2.
What is the molecular weight of 间异丙威?
The molecular weight of 间异丙威 is 193.11 g/mol.
Where can I buy 间异丙威?
You can request a quote for 间异丙威 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 间异丙威?
Yes, KEHONG BIO provides custom synthesis services for 间异丙威 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.