o-tert-Butylphenyl methylcarbamate
TL;DR: o-tert-Butylphenyl methylcarbamate (CAS 2626-81-5) is a chemical compound with molecular formula C12H17NO2 and molecular weight 207.12593 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2-tert-butylphenyl) N-methylcarbamate
Also Known As: o-tert-Butylphenyl methylcarbamate, 2-tert-butylphenyl methylcarbamate, (2-tert-butylphenyl) N-methylcarbamate, 2-TERT-BUTYLPHENYL N-METHYLCARBAMATE, O-TERT-BUTYLPHENYL N-METHYL CARBAMATE
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H17NO2 |
| Molecular Weight | 207.12593 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 207.12593 Da |
| Heavy Atoms | 15 |
| Complexity | 220.0 |
| SMILES | CC(C)(C)C1=CC=CC=C1OC(=O)NC |
| InChIKey | MCJHCFNLHXLNJW-UHFFFAOYSA-N |
Chemical Property Profile of o-tert-Butylphenyl methylcarbamate
Property Insights of o-tert-Butylphenyl methylcarbamate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for o-tert-Butylphenyl methylcarbamate. With a topological polar surface area (TPSA) of 38.3 Ų, o-tert-Butylphenyl methylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, o-tert-Butylphenyl 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 o-tert-Butylphenyl methylcarbamate?
The CAS number of o-tert-Butylphenyl methylcarbamate is 2626-81-5.
What is the molecular formula of o-tert-Butylphenyl methylcarbamate?
The molecular formula of o-tert-Butylphenyl methylcarbamate is C12H17NO2.
What is the molecular weight of o-tert-Butylphenyl methylcarbamate?
The molecular weight of o-tert-Butylphenyl methylcarbamate is 207.12593 g/mol.
Where can I buy o-tert-Butylphenyl methylcarbamate?
You can request a quote for o-tert-Butylphenyl methylcarbamate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for o-tert-Butylphenyl methylcarbamate?
Yes, CoreyChem provides custom synthesis services for o-tert-Butylphenyl methylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.