Phenol, 3-(1,1-dimethylethyl)-, 1-(N-methylcarbamate)
TL;DR: Phenol, 3-(1,1-dimethylethyl)-, 1-(N-methylcarbamate) (CAS 780-11-0) is a chemical compound with molecular formula C12H17NO2 and molecular weight 207.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-tert-butylphenyl) N-methylcarbamate
Also Known As: Terbam, Knockbal, TBPMC, Nockbal, m-tert-Butylphenyl methylcarbamate
| Molecular Formula | C12H17NO2 |
|---|---|
| Molecular Weight | 207.13 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 207.12593 |
| Heavy Atoms | 15 |
| Complexity | 220.0 |
Chemical Identifiers
| CAS Number | 780-11-0 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC=C1)OC(=O)NC |
| InChIKey | FSJYRLHKLVGCNH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenol, 3-(1,1-dimethylethyl)-, 1-(N-methylcarbamate) (CAS 780-11-0), with molecular formula C12H17NO2 and molecular weight 207.13 g/mol. IUPAC: (3-tert-butylphenyl) N-methylcarbamate.
Chemical Property Profile of Phenol, 3-(1,1-dimethylethyl)-, 1-(N-methylcarbamate)
Property Insights of Phenol, 3-(1,1-dimethylethyl)-, 1-(N-methylcarbamate)
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenol, 3-(1,1-dimethylethyl)-, 1-(N-methylcarbamate). With a topological polar surface area (TPSA) of 38.3 Ų, Phenol, 3-(1,1-dimethylethyl)-, 1-(N-methylcarbamate) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenol, 3-(1,1-dimethylethyl)-, 1-(N-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
Frequently Asked Questions
What is the CAS number of Phenol, 3-(1,1-dimethylethyl)-, 1-(N-methylcarbamate)?
The CAS number of Phenol, 3-(1,1-dimethylethyl)-, 1-(N-methylcarbamate) is 780-11-0.
What is the molecular formula of Phenol, 3-(1,1-dimethylethyl)-, 1-(N-methylcarbamate)?
The molecular formula of Phenol, 3-(1,1-dimethylethyl)-, 1-(N-methylcarbamate) is C12H17NO2.
What is the molecular weight of Phenol, 3-(1,1-dimethylethyl)-, 1-(N-methylcarbamate)?
The molecular weight of Phenol, 3-(1,1-dimethylethyl)-, 1-(N-methylcarbamate) is 207.13 g/mol.
Where can I buy Phenol, 3-(1,1-dimethylethyl)-, 1-(N-methylcarbamate)?
You can request a quote for Phenol, 3-(1,1-dimethylethyl)-, 1-(N-methylcarbamate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenol, 3-(1,1-dimethylethyl)-, 1-(N-methylcarbamate)?
Yes, KEHONG BIO provides custom synthesis services for Phenol, 3-(1,1-dimethylethyl)-, 1-(N-methylcarbamate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.