2-丙烯-1-基氨基甲酸酯
TL;DR: 2-丙烯-1-基氨基甲酸酯 (CAS 2114-11-6) is a chemical compound with molecular formula C4H7NO2 and molecular weight 101.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-丙烯-1-基氨基甲酸酯
prop-2-enyl carbamate
Also Known As: Allyl carbamate, prop-2-en-1-yl carbamate, prop-2-enyl carbamate, rokitamycin, ALLYLURETHANE
| Molecular Formula | C4H7NO2 |
|---|---|
| Molecular Weight | 101.05 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 101.047676 |
| Heavy Atoms | 7 |
| Complexity | 79.0 |
Chemical Identifiers
| CAS Number | 2114-11-6 |
|---|---|
| SMILES | C=CCOC(=O)N |
| InChIKey | OCAAZRFBJBEVPS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-丙烯-1-基氨基甲酸酯 (CAS 2114-11-6), with molecular formula C4H7NO2 and molecular weight 101.05 g/mol. IUPAC: prop-2-enyl carbamate.
Chemical Property Profile of 2-丙烯-1-基氨基甲酸酯
Property Insights of 2-丙烯-1-基氨基甲酸酯
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-丙烯-1-基氨基甲酸酯. With a topological polar surface area (TPSA) of 52.3 Ų, 2-丙烯-1-基氨基甲酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-丙烯-1-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-丙烯-1-基氨基甲酸酯?
The CAS number of 2-丙烯-1-基氨基甲酸酯 is 2114-11-6.
What is the molecular formula of 2-丙烯-1-基氨基甲酸酯?
The molecular formula of 2-丙烯-1-基氨基甲酸酯 is C4H7NO2.
What is the molecular weight of 2-丙烯-1-基氨基甲酸酯?
The molecular weight of 2-丙烯-1-基氨基甲酸酯 is 101.05 g/mol.
Where can I buy 2-丙烯-1-基氨基甲酸酯?
You can request a quote for 2-丙烯-1-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-丙烯-1-基氨基甲酸酯?
Yes, KEHONG BIO provides custom synthesis services for 2-丙烯-1-基氨基甲酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.