Propargyl chloroformate
TL;DR: Propargyl chloroformate (CAS 35718-08-2) is a chemical compound with molecular formula C4H3ClO2 and molecular weight 117.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-ynyl carbonochloridate
Also Known As: Propargyl chloroformate, prop-2-ynyl carbonochloridate, 2-propynyl chloroformate, prop-2-yn-1-yl carbonochloridate, Prop-2-ynyl Chloroformate
| Molecular Formula | C4H3ClO2 |
|---|---|
| Molecular Weight | 117.98 g/mol |
| LogP | 0.995 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 117.982155 |
| Heavy Atoms | 7 |
| Complexity | 102.74765 |
Chemical Identifiers
| CAS Number | 35718-08-2 |
|---|---|
| SMILES | C#CCOC(=O)Cl |
Product Overview
Propargyl chloroformate (CAS 35718-08-2), with molecular formula C4H3ClO2 and molecular weight 117.98 g/mol. IUPAC: prop-2-ynyl carbonochloridate.
Chemical Property Profile of Propargyl chloroformate
Property Insights of Propargyl chloroformate
The XLogP value of 0.995 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propargyl chloroformate. With a topological polar surface area (TPSA) of 26.3 Ų, Propargyl chloroformate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propargyl 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 Propargyl chloroformate?
The CAS number of Propargyl chloroformate is 35718-08-2.
What is the molecular formula of Propargyl chloroformate?
The molecular formula of Propargyl chloroformate is C4H3ClO2.
What is the molecular weight of Propargyl chloroformate?
The molecular weight of Propargyl chloroformate is 117.98 g/mol.
Where can I buy Propargyl chloroformate?
You can request a quote for Propargyl chloroformate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propargyl chloroformate?
Yes, KEHONG BIO provides custom synthesis services for Propargyl chloroformate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.