3-(1-甲基丙基)苯酚-1-(N-甲基氨基甲酸酯)
TL;DR: 3-(1-甲基丙基)苯酚-1-(N-甲基氨基甲酸酯) (CAS 673-19-8) 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-(1-甲基丙基)苯酚-1-(N-甲基氨基甲酸酯)
(3-butan-2-ylphenyl) N-methylcarbamate
Also Known As: Chevron RE5305, Chevron 5305, Ortho 5305, Chevron RE-5305, m-sec-Butylphenyl N-methylcarbamate
| Molecular Formula | C12H17NO2 |
|---|---|
| Molecular Weight | 207.13 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 207.12593 |
| Heavy Atoms | 15 |
| Complexity | 206.0 |
Chemical Identifiers
| CAS Number | 673-19-8 |
|---|---|
| SMILES | CCC(C)C1=CC(=CC=C1)OC(=O)NC |
| InChIKey | NTZPCBGVBWXEOC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(1-甲基丙基)苯酚-1-(N-甲基氨基甲酸酯) (CAS 673-19-8), with molecular formula C12H17NO2 and molecular weight 207.13 g/mol. IUPAC: (3-butan-2-ylphenyl) N-methylcarbamate.
Chemical Property Profile of 3-(1-甲基丙基)苯酚-1-(N-甲基氨基甲酸酯)
Property Insights of 3-(1-甲基丙基)苯酚-1-(N-甲基氨基甲酸酯)
The XLogP value of 3.2 indicates that 3-(1-甲基丙基)苯酚-1-(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, 3-(1-甲基丙基)苯酚-1-(N-甲基氨基甲酸酯) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1-甲基丙基)苯酚-1-(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 3-(1-甲基丙基)苯酚-1-(N-甲基氨基甲酸酯)?
The CAS number of 3-(1-甲基丙基)苯酚-1-(N-甲基氨基甲酸酯) is 673-19-8.
What is the molecular formula of 3-(1-甲基丙基)苯酚-1-(N-甲基氨基甲酸酯)?
The molecular formula of 3-(1-甲基丙基)苯酚-1-(N-甲基氨基甲酸酯) is C12H17NO2.
What is the molecular weight of 3-(1-甲基丙基)苯酚-1-(N-甲基氨基甲酸酯)?
The molecular weight of 3-(1-甲基丙基)苯酚-1-(N-甲基氨基甲酸酯) is 207.13 g/mol.
Where can I buy 3-(1-甲基丙基)苯酚-1-(N-甲基氨基甲酸酯)?
You can request a quote for 3-(1-甲基丙基)苯酚-1-(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 3-(1-甲基丙基)苯酚-1-(N-甲基氨基甲酸酯)?
Yes, KEHONG BIO provides custom synthesis services for 3-(1-甲基丙基)苯酚-1-(N-甲基氨基甲酸酯) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.