间-(1-甲基丁基)苯基-N-甲基氨基甲酸酯
TL;DR: 间-(1-甲基丁基)苯基-N-甲基氨基甲酸酯 (CAS 2282-34-0) 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-甲基丁基)苯基-N-甲基氨基甲酸酯
(3-pentan-2-ylphenyl) N-methylcarbamate
Also Known As: Chevron RE 5353, Compound 5353, 3-sec-Amylphenyl N-methylcarbamate, Ortho RE-5353, Ortho 5,353
| 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 | 218.0 |
Chemical Identifiers
| CAS Number | 2282-34-0 |
|---|---|
| SMILES | CCCC(C)C1=CC(=CC=C1)OC(=O)NC |
| InChIKey | LHTOXQCYXYXXEZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
间-(1-甲基丁基)苯基-N-甲基氨基甲酸酯 (CAS 2282-34-0), with molecular formula C13H19NO2 and molecular weight 221.14 g/mol. IUPAC: (3-pentan-2-ylphenyl) N-methylcarbamate.
Chemical Property Profile of 间-(1-甲基丁基)苯基-N-甲基氨基甲酸酯
Property Insights of 间-(1-甲基丁基)苯基-N-甲基氨基甲酸酯
The XLogP value of 3.7 indicates that 间-(1-甲基丁基)苯基-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, 间-(1-甲基丁基)苯基-N-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-甲基丁基)苯基-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 间-(1-甲基丁基)苯基-N-甲基氨基甲酸酯?
The CAS number of 间-(1-甲基丁基)苯基-N-甲基氨基甲酸酯 is 2282-34-0.
What is the molecular formula of 间-(1-甲基丁基)苯基-N-甲基氨基甲酸酯?
The molecular formula of 间-(1-甲基丁基)苯基-N-甲基氨基甲酸酯 is C13H19NO2.
What is the molecular weight of 间-(1-甲基丁基)苯基-N-甲基氨基甲酸酯?
The molecular weight of 间-(1-甲基丁基)苯基-N-甲基氨基甲酸酯 is 221.14 g/mol.
Where can I buy 间-(1-甲基丁基)苯基-N-甲基氨基甲酸酯?
You can request a quote for 间-(1-甲基丁基)苯基-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 间-(1-甲基丁基)苯基-N-甲基氨基甲酸酯?
Yes, KEHONG BIO provides custom synthesis services for 间-(1-甲基丁基)苯基-N-甲基氨基甲酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.