![3'-(4-chlorophenyl)-1,1-dioxospiro[2H-thiochromene-3,2'-oxirane]-4-one structure](/static/products/2173/21733-51-7.webp)
3'-(4-chlorophenyl)-1,1-dioxospiro[2H-thiochromene-3,2'-oxirane]-4-one
TL;DR: 3'-(4-chlorophenyl)-1,1-dioxospiro[2H-thiochromene-3,2'-oxirane]-4-one (CAS 21733-51-7) is a chemical compound with molecular formula C16H11ClO4S and molecular weight 334.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3'-(4-chlorophenyl)-1,1-dioxospiro[2H-thiochromene-3,2'-oxirane]-4-one
Also Known As: 3'-(4-chlorophenyl)-1,1-dioxospiro[2H-thiochromene-3,2'-oxirane]-4-one, 3'-(4-chlorophenyl)-1,1-dioxospiro[2H-thiochromene-3,2'-oxir, 3'-(4-Chlorophenyl)-2H-1lambda~6~-spiro[[1]benzothiopyran-3,2'-oxirane]-1,1,4-trione
| Molecular Formula | C16H11ClO4S |
|---|---|
| Molecular Weight | 334.01 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 334.00665 |
| Heavy Atoms | 22 |
| Complexity | 575.0 |
Chemical Identifiers
| CAS Number | 21733-51-7 |
|---|---|
| SMILES | C1C2(C(O2)C3=CC=C(C=C3)Cl)C(=O)C4=CC=CC=C4S1(=O)=O |
| InChIKey | VWABVMMLTFQMPZ-UHFFFAOYSA-N |
Product Overview
3'-(4-chlorophenyl)-1,1-dioxospiro[2H-thiochromene-3,2'-oxirane]-4-one (CAS 21733-51-7), with molecular formula C16H11ClO4S and molecular weight 334.01 g/mol. IUPAC: 3'-(4-chlorophenyl)-1,1-dioxospiro[2H-thiochromene-3,2'-oxirane]-4-one.
Chemical Property Profile of 3'-(4-chlorophenyl)-1,1-dioxospiro[2H-thiochromene-3,2'-oxirane]-4-one
Property Insights of 3'-(4-chlorophenyl)-1,1-dioxospiro[2H-thiochromene-3,2'-oxirane]-4-one
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3'-(4-chlorophenyl)-1,1-dioxospiro[2H-thiochromene-3,2'-oxirane]-4-one. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3'-(4-chlorophenyl)-1,1-dioxospiro[2H-thiochromene-3,2'-oxirane]-4-one. Following Lipinski's Rule of Five, 3'-(4-chlorophenyl)-1,1-dioxospiro[2H-thiochromene-3,2'-oxirane]-4-one 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 3'-(4-chlorophenyl)-1,1-dioxospiro[2H-thiochromene-3,2'-oxirane]-4-one?
The CAS number of 3'-(4-chlorophenyl)-1,1-dioxospiro[2H-thiochromene-3,2'-oxirane]-4-one is 21733-51-7.
What is the molecular formula of 3'-(4-chlorophenyl)-1,1-dioxospiro[2H-thiochromene-3,2'-oxirane]-4-one?
The molecular formula of 3'-(4-chlorophenyl)-1,1-dioxospiro[2H-thiochromene-3,2'-oxirane]-4-one is C16H11ClO4S.
What is the molecular weight of 3'-(4-chlorophenyl)-1,1-dioxospiro[2H-thiochromene-3,2'-oxirane]-4-one?
The molecular weight of 3'-(4-chlorophenyl)-1,1-dioxospiro[2H-thiochromene-3,2'-oxirane]-4-one is 334.01 g/mol.
Where can I buy 3'-(4-chlorophenyl)-1,1-dioxospiro[2H-thiochromene-3,2'-oxirane]-4-one?
You can request a quote for 3'-(4-chlorophenyl)-1,1-dioxospiro[2H-thiochromene-3,2'-oxirane]-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-(4-chlorophenyl)-1,1-dioxospiro[2H-thiochromene-3,2'-oxirane]-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3'-(4-chlorophenyl)-1,1-dioxospiro[2H-thiochromene-3,2'-oxirane]-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.