1,1-Dioxothiolan-3-yl 4-chlorobenzoate
TL;DR: 1,1-Dioxothiolan-3-yl 4-chlorobenzoate (CAS 57705-53-0) is a chemical compound with molecular formula C11H11ClO4S and molecular weight 274.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,1-dioxothiolan-3-yl) 4-chlorobenzoate
Also Known As: 1,1-dioxothiolan-3-yl 4-chlorobenzoate, (1,1-dioxothiolan-3-yl) 4-chlorobenzoate, 1,1-dioxidotetrahydro-3-thienyl 4-chlorobenzoate, 1,1-dioxidotetrahydrothiophen-3-yl 4-chlorobenzoate
| Molecular Formula | C11H11ClO4S |
|---|---|
| Molecular Weight | 274.01 g/mol |
| LogP | 1.6839 |
| Topological Polar Surface Area | 60.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 274.00665 |
| Heavy Atoms | 17 |
| Complexity | 520.90735 |
Chemical Identifiers
| CAS Number | 57705-53-0 |
|---|---|
| SMILES | C1CS(=O)(=O)CC1OC(=O)C2=CC=C(C=C2)Cl |
Product Overview
1,1-Dioxothiolan-3-yl 4-chlorobenzoate (CAS 57705-53-0), with molecular formula C11H11ClO4S and molecular weight 274.01 g/mol. IUPAC: (1,1-dioxothiolan-3-yl) 4-chlorobenzoate.
Chemical Property Profile of 1,1-Dioxothiolan-3-yl 4-chlorobenzoate
Property Insights of 1,1-Dioxothiolan-3-yl 4-chlorobenzoate
The XLogP value of 1.6839 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1-Dioxothiolan-3-yl 4-chlorobenzoate. The TPSA of 60.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1-Dioxothiolan-3-yl 4-chlorobenzoate. Following Lipinski's Rule of Five, 1,1-Dioxothiolan-3-yl 4-chlorobenzoate 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 1,1-Dioxothiolan-3-yl 4-chlorobenzoate?
The CAS number of 1,1-Dioxothiolan-3-yl 4-chlorobenzoate is 57705-53-0.
What is the molecular formula of 1,1-Dioxothiolan-3-yl 4-chlorobenzoate?
The molecular formula of 1,1-Dioxothiolan-3-yl 4-chlorobenzoate is C11H11ClO4S.
What is the molecular weight of 1,1-Dioxothiolan-3-yl 4-chlorobenzoate?
The molecular weight of 1,1-Dioxothiolan-3-yl 4-chlorobenzoate is 274.01 g/mol.
Where can I buy 1,1-Dioxothiolan-3-yl 4-chlorobenzoate?
You can request a quote for 1,1-Dioxothiolan-3-yl 4-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Dioxothiolan-3-yl 4-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Dioxothiolan-3-yl 4-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.