Isopropenyl chloroformate
TL;DR: Isopropenyl chloroformate (CAS 57933-83-2) 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.
prop-1-en-2-yl carbonochloridate
Also Known As: Isopropenyl chloroformate, prop-1-en-2-yl carbonochloridate, isopropenylchloroformate, isopropenylchloro-formate, isopropenyl 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 | 2 |
| Exact Mass | 119.99781 |
| Heavy Atoms | 7 |
| Complexity | 97.0 |
Chemical Identifiers
| CAS Number | 57933-83-2 |
|---|---|
| SMILES | CC(=C)OC(=O)Cl |
| InChIKey | AMMGCGVWJMRTQI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isopropenyl chloroformate (CAS 57933-83-2), with molecular formula C4H5ClO2 and molecular weight 120.00 g/mol. IUPAC: prop-1-en-2-yl carbonochloridate.
Chemical Property Profile of Isopropenyl chloroformate
Property Insights of Isopropenyl chloroformate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isopropenyl chloroformate. With a topological polar surface area (TPSA) of 26.3 Ų, Isopropenyl chloroformate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropenyl chloroformate 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 Isopropenyl chloroformate?
The CAS number of Isopropenyl chloroformate is 57933-83-2.
What is the molecular formula of Isopropenyl chloroformate?
The molecular formula of Isopropenyl chloroformate is C4H5ClO2.
What is the molecular weight of Isopropenyl chloroformate?
The molecular weight of Isopropenyl chloroformate is 120.00 g/mol.
Where can I buy Isopropenyl chloroformate?
You can request a quote for Isopropenyl chloroformate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropenyl chloroformate?
Yes, KEHONG BIO provides custom synthesis services for Isopropenyl chloroformate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.