2-Chloro-5-(1-methylethyl)phenol methylcarbamate
TL;DR: 2-Chloro-5-(1-methylethyl)phenol methylcarbamate (CAS 2752-81-0) is a chemical compound with molecular formula C11H14ClNO2 and molecular weight 227.0713 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2-chloro-5-propan-2-ylphenyl) N-methylcarbamate
Also Known As: Hercules 7522-H, Hercules-7522H, HERCULES 7522H, 2-Chloro-5-(1-methylethyl)phenol methylcarbamate, ENT 25,763
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H14ClNO2 |
| Molecular Weight | 227.0713 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 227.0713 Da |
| Heavy Atoms | 15 |
| Complexity | 221.0 |
| SMILES | CC(C)C1=CC(=C(C=C1)Cl)OC(=O)NC |
| InChIKey | CZGFTPWPELNYCV-UHFFFAOYSA-N |
Chemical Property Profile of 2-Chloro-5-(1-methylethyl)phenol methylcarbamate
Property Insights of 2-Chloro-5-(1-methylethyl)phenol methylcarbamate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-5-(1-methylethyl)phenol methylcarbamate. With a topological polar surface area (TPSA) of 38.3 Ų, 2-Chloro-5-(1-methylethyl)phenol methylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-5-(1-methylethyl)phenol methylcarbamate 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
What is the CAS number of 2-Chloro-5-(1-methylethyl)phenol methylcarbamate?
The CAS number of 2-Chloro-5-(1-methylethyl)phenol methylcarbamate is 2752-81-0.
What is the molecular formula of 2-Chloro-5-(1-methylethyl)phenol methylcarbamate?
The molecular formula of 2-Chloro-5-(1-methylethyl)phenol methylcarbamate is C11H14ClNO2.
What is the molecular weight of 2-Chloro-5-(1-methylethyl)phenol methylcarbamate?
The molecular weight of 2-Chloro-5-(1-methylethyl)phenol methylcarbamate is 227.0713 g/mol.
Where can I buy 2-Chloro-5-(1-methylethyl)phenol methylcarbamate?
You can request a quote for 2-Chloro-5-(1-methylethyl)phenol methylcarbamate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Chloro-5-(1-methylethyl)phenol methylcarbamate?
Yes, CoreyChem provides custom synthesis services for 2-Chloro-5-(1-methylethyl)phenol methylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.