丙炔基 N-苯基氨基甲酸酯
TL;DR: 丙炔基 N-苯基氨基甲酸酯 (CAS 6268-34-4) is a chemical compound with molecular formula C10H9NO2 and molecular weight 175.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丙炔基 N-苯基氨基甲酸酯
prop-2-ynyl N-phenylcarbamate
Also Known As: Propynyl N-phenylcarbamate, prop-2-ynyl n-phenylcarbamate, Propargyl N-phenylcarbamate, 2-Propyn-1-ol, carbanilate, 2-Propyn-1-ol, phenylcarbamate
| Molecular Formula | C10H9NO2 |
|---|---|
| Molecular Weight | 175.06 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 175.06332 |
| Heavy Atoms | 13 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 6268-34-4 |
|---|---|
| SMILES | C#CCOC(=O)NC1=CC=CC=C1 |
| InChIKey | YSZCDDOREQFOHK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
丙炔基 N-苯基氨基甲酸酯 (CAS 6268-34-4), with molecular formula C10H9NO2 and molecular weight 175.06 g/mol. IUPAC: prop-2-ynyl N-phenylcarbamate.
Chemical Property Profile of 丙炔基 N-苯基氨基甲酸酯
Property Insights of 丙炔基 N-苯基氨基甲酸酯
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 丙炔基 N-苯基氨基甲酸酯. With a topological polar surface area (TPSA) of 38.3 Ų, 丙炔基 N-苯基氨基甲酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 丙炔基 N-苯基氨基甲酸酯 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 丙炔基 N-苯基氨基甲酸酯?
The CAS number of 丙炔基 N-苯基氨基甲酸酯 is 6268-34-4.
What is the molecular formula of 丙炔基 N-苯基氨基甲酸酯?
The molecular formula of 丙炔基 N-苯基氨基甲酸酯 is C10H9NO2.
What is the molecular weight of 丙炔基 N-苯基氨基甲酸酯?
The molecular weight of 丙炔基 N-苯基氨基甲酸酯 is 175.06 g/mol.
Where can I buy 丙炔基 N-苯基氨基甲酸酯?
You can request a quote for 丙炔基 N-苯基氨基甲酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丙炔基 N-苯基氨基甲酸酯?
Yes, KEHONG BIO provides custom synthesis services for 丙炔基 N-苯基氨基甲酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.