2-氯-3-异丙苯基-N-甲基氨基甲酸酯
TL;DR: 2-氯-3-异丙苯基-N-甲基氨基甲酸酯 (CAS 3566-09-4) is a chemical compound with molecular formula C11H14ClNO2 and molecular weight 227.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-氯-3-异丙苯基-N-甲基氨基甲酸酯
(2-chloro-3-propan-2-ylphenyl) N-methylcarbamate
Also Known As: Hercules 7522, Oms 22, ENT 25,711-X, Methylcarbamic acid 2-chloro-m-cumenyl ester, 2-Chloro-3-(1-methylethyl)phenol methylcarbamate
| Molecular Formula | C11H14ClNO2 |
|---|---|
| Molecular Weight | 227.07 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 227.0713 |
| Heavy Atoms | 15 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 3566-09-4 |
|---|---|
| SMILES | CC(C)C1=C(C(=CC=C1)OC(=O)NC)Cl |
| InChIKey | OYQYZTQPLCFOSQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-氯-3-异丙苯基-N-甲基氨基甲酸酯 (CAS 3566-09-4), with molecular formula C11H14ClNO2 and molecular weight 227.07 g/mol. IUPAC: (2-chloro-3-propan-2-ylphenyl) N-methylcarbamate.
Chemical Property Profile of 2-氯-3-异丙苯基-N-甲基氨基甲酸酯
Property Insights of 2-氯-3-异丙苯基-N-甲基氨基甲酸酯
The XLogP value of 3.3 indicates that 2-氯-3-异丙苯基-N-甲基氨基甲酸酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, 2-氯-3-异丙苯基-N-甲基氨基甲酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-氯-3-异丙苯基-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 2-氯-3-异丙苯基-N-甲基氨基甲酸酯?
The CAS number of 2-氯-3-异丙苯基-N-甲基氨基甲酸酯 is 3566-09-4.
What is the molecular formula of 2-氯-3-异丙苯基-N-甲基氨基甲酸酯?
The molecular formula of 2-氯-3-异丙苯基-N-甲基氨基甲酸酯 is C11H14ClNO2.
What is the molecular weight of 2-氯-3-异丙苯基-N-甲基氨基甲酸酯?
The molecular weight of 2-氯-3-异丙苯基-N-甲基氨基甲酸酯 is 227.07 g/mol.
Where can I buy 2-氯-3-异丙苯基-N-甲基氨基甲酸酯?
You can request a quote for 2-氯-3-异丙苯基-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 2-氯-3-异丙苯基-N-甲基氨基甲酸酯?
Yes, KEHONG BIO provides custom synthesis services for 2-氯-3-异丙苯基-N-甲基氨基甲酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.