间(1-乙基丙基)苯基甲基氨基甲酸酯
TL;DR: 间(1-乙基丙基)苯基甲基氨基甲酸酯 (CAS 672-04-8) is a chemical compound with molecular formula C13H19NO2 and molecular weight 221.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
间(1-乙基丙基)苯基甲基氨基甲酸酯
(3-pentan-3-ylphenyl) N-methylcarbamate
Also Known As: 3-(1-Ethylpropyl)phenyl Methylcarbamate, M-(1-ETHYLPROPYL)PHENYL METHYLCARBAMATE, (3-pentan-3-ylphenyl) N-methylcarbamate, 3-(pentan-3-yl)phenyl N-methylcarbamate, 3-(pentan-3-yl)phenyl methylcarbamate
| Molecular Formula | C13H19NO2 |
|---|---|
| Molecular Weight | 221.14 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 221.14159 |
| Heavy Atoms | 16 |
| Complexity | 214.0 |
Chemical Identifiers
| CAS Number | 672-04-8 |
|---|---|
| SMILES | CCC(CC)C1=CC(=CC=C1)OC(=O)NC |
| InChIKey | SMSFWBAOKCZZBF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
间(1-乙基丙基)苯基甲基氨基甲酸酯 (CAS 672-04-8), with molecular formula C13H19NO2 and molecular weight 221.14 g/mol. IUPAC: (3-pentan-3-ylphenyl) N-methylcarbamate.
Chemical Property Profile of 间(1-乙基丙基)苯基甲基氨基甲酸酯
Property Insights of 间(1-乙基丙基)苯基甲基氨基甲酸酯
The XLogP value of 3.7 indicates that 间(1-乙基丙基)苯基甲基氨基甲酸酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, 间(1-乙基丙基)苯基甲基氨基甲酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 间(1-乙基丙基)苯基甲基氨基甲酸酯 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 间(1-乙基丙基)苯基甲基氨基甲酸酯?
The CAS number of 间(1-乙基丙基)苯基甲基氨基甲酸酯 is 672-04-8.
What is the molecular formula of 间(1-乙基丙基)苯基甲基氨基甲酸酯?
The molecular formula of 间(1-乙基丙基)苯基甲基氨基甲酸酯 is C13H19NO2.
What is the molecular weight of 间(1-乙基丙基)苯基甲基氨基甲酸酯?
The molecular weight of 间(1-乙基丙基)苯基甲基氨基甲酸酯 is 221.14 g/mol.
Where can I buy 间(1-乙基丙基)苯基甲基氨基甲酸酯?
You can request a quote for 间(1-乙基丙基)苯基甲基氨基甲酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 间(1-乙基丙基)苯基甲基氨基甲酸酯?
Yes, KEHONG BIO provides custom synthesis services for 间(1-乙基丙基)苯基甲基氨基甲酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.