苯氨基甲酸正癸酯
TL;DR: 苯氨基甲酸正癸酯 (CAS 7504-86-1) is a chemical compound with molecular formula C17H27NO2 and molecular weight 277.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯氨基甲酸正癸酯
decyl N-phenylcarbamate
Also Known As: decyl N-phenylcarbamate, Carbanilic acid, n-decyl ester, Decyl phenylcarbamate, Decyl phenylcarbamate #, Carbamic acid, phenyl-, decyl ester
| Molecular Formula | C17H27NO2 |
|---|---|
| Molecular Weight | 277.20 g/mol |
| LogP | 6.5 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 11 |
| Exact Mass | 277.2042 |
| Heavy Atoms | 20 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 7504-86-1 |
|---|---|
| SMILES | CCCCCCCCCCOC(=O)NC1=CC=CC=C1 |
| InChIKey | GCAJWNIRJIYNAK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苯氨基甲酸正癸酯 (CAS 7504-86-1), with molecular formula C17H27NO2 and molecular weight 277.20 g/mol. IUPAC: decyl N-phenylcarbamate.
Chemical Property Profile of 苯氨基甲酸正癸酯
Property Insights of 苯氨基甲酸正癸酯
The XLogP value of 6.5 indicates that 苯氨基甲酸正癸酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, 苯氨基甲酸正癸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苯氨基甲酸正癸酯 has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 苯氨基甲酸正癸酯?
The CAS number of 苯氨基甲酸正癸酯 is 7504-86-1.
What is the molecular formula of 苯氨基甲酸正癸酯?
The molecular formula of 苯氨基甲酸正癸酯 is C17H27NO2.
What is the molecular weight of 苯氨基甲酸正癸酯?
The molecular weight of 苯氨基甲酸正癸酯 is 277.20 g/mol.
Where can I buy 苯氨基甲酸正癸酯?
You can request a quote for 苯氨基甲酸正癸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯氨基甲酸正癸酯?
Yes, KEHONG BIO provides custom synthesis services for 苯氨基甲酸正癸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.