3-Butyn-1-yl chloroformate
TL;DR: 3-Butyn-1-yl chloroformate (CAS 190774-49-3) is a chemical compound with molecular formula C5H5ClO2 and molecular weight 132.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-3-ynyl carbonochloridate
Also Known As: 3-Butyn-1-yl chloroformate, but-3-ynyl carbonochloridate, BUT-3-YN-1-YL CARBONOCHLORIDATE, But-3-ynyl Chloroformate, (BUT-3-YN-1-YLOXY)(CHLORO)METHANONE
| Molecular Formula | C5H5ClO2 |
|---|---|
| Molecular Weight | 132.00 g/mol |
| LogP | 1.3851 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 131.9978 |
| Heavy Atoms | 8 |
| Complexity | 114.0873 |
Chemical Identifiers
| CAS Number | 190774-49-3 |
|---|---|
| SMILES | C#CCCOC(=O)Cl |
Product Overview
3-Butyn-1-yl chloroformate (CAS 190774-49-3), with molecular formula C5H5ClO2 and molecular weight 132.00 g/mol. IUPAC: but-3-ynyl carbonochloridate.
Chemical Property Profile of 3-Butyn-1-yl chloroformate
Property Insights of 3-Butyn-1-yl chloroformate
The XLogP value of 1.3851 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Butyn-1-yl chloroformate. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Butyn-1-yl chloroformate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Butyn-1-yl 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 3-Butyn-1-yl chloroformate?
The CAS number of 3-Butyn-1-yl chloroformate is 190774-49-3.
What is the molecular formula of 3-Butyn-1-yl chloroformate?
The molecular formula of 3-Butyn-1-yl chloroformate is C5H5ClO2.
What is the molecular weight of 3-Butyn-1-yl chloroformate?
The molecular weight of 3-Butyn-1-yl chloroformate is 132.00 g/mol.
Where can I buy 3-Butyn-1-yl chloroformate?
You can request a quote for 3-Butyn-1-yl chloroformate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Butyn-1-yl chloroformate?
Yes, KEHONG BIO provides custom synthesis services for 3-Butyn-1-yl chloroformate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.