2-Chlorobutyl chloroformate
TL;DR: 2-Chlorobutyl chloroformate (CAS 84697-15-4) is a chemical compound with molecular formula C5H8Cl2O2 and molecular weight 169.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chlorobutyl carbonochloridate
Also Known As: 2-Chlorobutyl chloroformate, 2-chlorobutyl carbonochloridate, EINECS 283-725-7, Carbonochloridic acid,2-chlorobutyl ester, Chloridocarbonic acid 2-chlorobutyl ester
| Molecular Formula | C5H8Cl2O2 |
|---|---|
| Molecular Weight | 169.99 g/mol |
| LogP | 2.3792 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 169.99013 |
| Heavy Atoms | 9 |
| Complexity | 94.958786 |
Chemical Identifiers
| CAS Number | 84697-15-4 |
|---|---|
| SMILES | CCC(COC(=O)Cl)Cl |
Product Overview
2-Chlorobutyl chloroformate (CAS 84697-15-4), with molecular formula C5H8Cl2O2 and molecular weight 169.99 g/mol. IUPAC: 2-chlorobutyl carbonochloridate.
Chemical Property Profile of 2-Chlorobutyl chloroformate
Property Insights of 2-Chlorobutyl chloroformate
The XLogP value of 2.3792 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chlorobutyl chloroformate. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Chlorobutyl chloroformate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chlorobutyl 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 2-Chlorobutyl chloroformate?
The CAS number of 2-Chlorobutyl chloroformate is 84697-15-4.
What is the molecular formula of 2-Chlorobutyl chloroformate?
The molecular formula of 2-Chlorobutyl chloroformate is C5H8Cl2O2.
What is the molecular weight of 2-Chlorobutyl chloroformate?
The molecular weight of 2-Chlorobutyl chloroformate is 169.99 g/mol.
Where can I buy 2-Chlorobutyl chloroformate?
You can request a quote for 2-Chlorobutyl chloroformate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chlorobutyl chloroformate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chlorobutyl chloroformate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.