Benzoic acid 4-chloro-1,1-dioxo-tetrahydro-thiophen-3-YL ester
TL;DR: Benzoic acid 4-chloro-1,1-dioxo-tetrahydro-thiophen-3-YL ester (CAS 75754-27-7) 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.
(4-chloro-1,1-dioxothiolan-3-yl) benzoate
Also Known As: (4-chloro-1,1-dioxothiolan-3-yl) benzoate, 4-Chloro-1,1-dioxo-1lambda~6~-thiolan-3-yl benzoate, BENZOIC ACID 4-CHLORO-1,1-DIOXO-TETRAHYDRO-THIOPHEN-3-YL ESTER, Thiophene-3-ol, 4-chlorotetrahydro-, 3-benzoate, 1,1-dioxide
| Molecular Formula | C11H11ClO4S |
|---|---|
| Molecular Weight | 274.01 g/mol |
| LogP | 1.2478 |
| 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 | 511.53278 |
Chemical Identifiers
| CAS Number | 75754-27-7 |
|---|---|
| SMILES | C1C(C(CS1(=O)=O)Cl)OC(=O)C2=CC=CC=C2 |
Product Overview
Benzoic acid 4-chloro-1,1-dioxo-tetrahydro-thiophen-3-YL ester (CAS 75754-27-7), with molecular formula C11H11ClO4S and molecular weight 274.01 g/mol. IUPAC: (4-chloro-1,1-dioxothiolan-3-yl) benzoate.
Chemical Property Profile of Benzoic acid 4-chloro-1,1-dioxo-tetrahydro-thiophen-3-YL ester
Property Insights of Benzoic acid 4-chloro-1,1-dioxo-tetrahydro-thiophen-3-YL ester
The XLogP value of 1.2478 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid 4-chloro-1,1-dioxo-tetrahydro-thiophen-3-YL ester. The TPSA of 60.44 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid 4-chloro-1,1-dioxo-tetrahydro-thiophen-3-YL ester. Following Lipinski's Rule of Five, Benzoic acid 4-chloro-1,1-dioxo-tetrahydro-thiophen-3-YL ester 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 Benzoic acid 4-chloro-1,1-dioxo-tetrahydro-thiophen-3-YL ester?
The CAS number of Benzoic acid 4-chloro-1,1-dioxo-tetrahydro-thiophen-3-YL ester is 75754-27-7.
What is the molecular formula of Benzoic acid 4-chloro-1,1-dioxo-tetrahydro-thiophen-3-YL ester?
The molecular formula of Benzoic acid 4-chloro-1,1-dioxo-tetrahydro-thiophen-3-YL ester is C11H11ClO4S.
What is the molecular weight of Benzoic acid 4-chloro-1,1-dioxo-tetrahydro-thiophen-3-YL ester?
The molecular weight of Benzoic acid 4-chloro-1,1-dioxo-tetrahydro-thiophen-3-YL ester is 274.01 g/mol.
Where can I buy Benzoic acid 4-chloro-1,1-dioxo-tetrahydro-thiophen-3-YL ester?
You can request a quote for Benzoic acid 4-chloro-1,1-dioxo-tetrahydro-thiophen-3-YL ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid 4-chloro-1,1-dioxo-tetrahydro-thiophen-3-YL ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid 4-chloro-1,1-dioxo-tetrahydro-thiophen-3-YL ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.