氯甲酸烯丙酯
TL;DR: 氯甲酸烯丙酯 (CAS 2937-50-0) is a chemical compound with molecular formula C4H5ClO2 and molecular weight 120.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氯甲酸烯丙酯
prop-2-enyl carbonochloridate
Also Known As: ALLYL CHLOROFORMATE, allylchloroformate, Allyl chlorocarbonate, Chloroformic acid allyl ester, allyl carbonochloridate
| Molecular Formula | C4H5ClO2 |
|---|---|
| Molecular Weight | 120.00 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 119.99781 |
| Heavy Atoms | 7 |
| Complexity | 79.0 |
| Melting Point | -80.0 °C |
| Boiling Point | 112.8 °C at 760 mmHg |
| Density | 1.139 at 20.0 °C |
| Solubility | Insoluble in water |
| Flash Point | 31.1 °C |
| Vapor Pressure | 20.0 [mmHg] |
| Refractive Index | = 1.4220 at 20 °C |
Chemical Identifiers
| CAS Number | 2937-50-0 |
|---|---|
| SMILES | C=CCOC(=O)Cl |
| InChIKey | CAEWJEXPFKNBQL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氯甲酸烯丙酯 (CAS 2937-50-0), with molecular formula C4H5ClO2 and molecular weight 120.00 g/mol. IUPAC: prop-2-enyl carbonochloridate.
Chemical Property Profile of 氯甲酸烯丙酯
Property Insights of 氯甲酸烯丙酯
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 氯甲酸烯丙酯. With a topological polar surface area (TPSA) of 26.3 Ų, 氯甲酸烯丙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 氯甲酸烯丙酯 has 0 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 氯甲酸烯丙酯?
The CAS number of 氯甲酸烯丙酯 is 2937-50-0.
What is the molecular formula of 氯甲酸烯丙酯?
The molecular formula of 氯甲酸烯丙酯 is C4H5ClO2.
What is the molecular weight of 氯甲酸烯丙酯?
The molecular weight of 氯甲酸烯丙酯 is 120.00 g/mol.
Where can I buy 氯甲酸烯丙酯?
You can request a quote for 氯甲酸烯丙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氯甲酸烯丙酯?
Yes, KEHONG BIO provides custom synthesis services for 氯甲酸烯丙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.