2-丙炔基氨基甲酸酯
TL;DR: 2-丙炔基氨基甲酸酯 (CAS 16754-39-5) is a chemical compound with molecular formula C4H5NO2 and molecular weight 99.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-丙炔基氨基甲酸酯
prop-2-ynyl carbamate
Also Known As: prop-2-ynyl carbamate, 2-Propynyl carbamate, prop-2-yn-1-yl carbamate, Propargyl carbamate, 2-Propyn-1-ol, 1-carbamate
| Molecular Formula | C4H5NO2 |
|---|---|
| Molecular Weight | 99.03 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 99.03203 |
| Heavy Atoms | 7 |
| Complexity | 110.0 |
Chemical Identifiers
| CAS Number | 16754-39-5 |
|---|---|
| SMILES | C#CCOC(=O)N |
| InChIKey | QVCOXWYMPCBIMH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-丙炔基氨基甲酸酯 (CAS 16754-39-5), with molecular formula C4H5NO2 and molecular weight 99.03 g/mol. IUPAC: prop-2-ynyl carbamate.
Chemical Property Profile of 2-丙炔基氨基甲酸酯
Property Insights of 2-丙炔基氨基甲酸酯
The XLogP value of -0.3 indicates that 2-丙炔基氨基甲酸酯 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 52.3 Ų, 2-丙炔基氨基甲酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-丙炔基氨基甲酸酯 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 2-丙炔基氨基甲酸酯?
The CAS number of 2-丙炔基氨基甲酸酯 is 16754-39-5.
What is the molecular formula of 2-丙炔基氨基甲酸酯?
The molecular formula of 2-丙炔基氨基甲酸酯 is C4H5NO2.
What is the molecular weight of 2-丙炔基氨基甲酸酯?
The molecular weight of 2-丙炔基氨基甲酸酯 is 99.03 g/mol.
Where can I buy 2-丙炔基氨基甲酸酯?
You can request a quote for 2-丙炔基氨基甲酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-丙炔基氨基甲酸酯?
Yes, KEHONG BIO provides custom synthesis services for 2-丙炔基氨基甲酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.