4-Chloro-1,1-dioxothiolan-3-yl chloroformate
TL;DR: 4-Chloro-1,1-dioxothiolan-3-yl chloroformate (CAS 77691-77-1) is a chemical compound with molecular formula C5H6Cl2O4S and molecular weight 231.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chloro-1,1-dioxothiolan-3-yl) carbonochloridate
Also Known As: 4-chloro-1,1-dioxothiolan-3-yl chloroformate, (4-chloro-1,1-dioxo-thiolan-3-yl) Chloroformate, (4-chloro-1,1-dioxothiolan-3-yl) carbonochloridate, 4-chloro-1,1-dioxo-1??-thiolan-3-yl chloroformate, 4-chloro-1,1-dioxidotetrahydro-3-thienyl chloridocarbonate
| Molecular Formula | C5H6Cl2O4S |
|---|---|
| Molecular Weight | 231.94 g/mol |
| LogP | 0.7662 |
| Topological Polar Surface Area | 60.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 231.93639 |
| Heavy Atoms | 12 |
| Complexity | 285.82333 |
Chemical Identifiers
| CAS Number | 77691-77-1 |
|---|---|
| SMILES | C1C(C(CS1(=O)=O)Cl)OC(=O)Cl |
Product Overview
4-Chloro-1,1-dioxothiolan-3-yl chloroformate (CAS 77691-77-1), with molecular formula C5H6Cl2O4S and molecular weight 231.94 g/mol. IUPAC: (4-chloro-1,1-dioxothiolan-3-yl) carbonochloridate.
Chemical Property Profile of 4-Chloro-1,1-dioxothiolan-3-yl chloroformate
Property Insights of 4-Chloro-1,1-dioxothiolan-3-yl chloroformate
The XLogP value of 0.7662 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-1,1-dioxothiolan-3-yl chloroformate. The TPSA of 60.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chloro-1,1-dioxothiolan-3-yl chloroformate. Following Lipinski's Rule of Five, 4-Chloro-1,1-dioxothiolan-3-yl chloroformate has 0 hydrogen bond donor(s) and 4 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 4-Chloro-1,1-dioxothiolan-3-yl chloroformate?
The CAS number of 4-Chloro-1,1-dioxothiolan-3-yl chloroformate is 77691-77-1.
What is the molecular formula of 4-Chloro-1,1-dioxothiolan-3-yl chloroformate?
The molecular formula of 4-Chloro-1,1-dioxothiolan-3-yl chloroformate is C5H6Cl2O4S.
What is the molecular weight of 4-Chloro-1,1-dioxothiolan-3-yl chloroformate?
The molecular weight of 4-Chloro-1,1-dioxothiolan-3-yl chloroformate is 231.94 g/mol.
Where can I buy 4-Chloro-1,1-dioxothiolan-3-yl chloroformate?
You can request a quote for 4-Chloro-1,1-dioxothiolan-3-yl chloroformate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-1,1-dioxothiolan-3-yl chloroformate?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-1,1-dioxothiolan-3-yl chloroformate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.