4-(2-(1,3-Benzodioxol-5-yl)-1,3-dithian-2-yl)dihydro-2(3H)-furanone
TL;DR: 4-(2-(1,3-Benzodioxol-5-yl)-1,3-dithian-2-yl)dihydro-2(3H)-furanone (CAS 67838-86-2) is a chemical compound with molecular formula C15H16O4S2 and molecular weight 324.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(1,3-benzodioxol-5-yl)-1,3-dithian-2-yl]oxolan-2-one
Also Known As: 4-(2-(1,3-Benzodioxol-5-yl)-1,3-dithian-2-yl)dihydro-2(3H)-furanone, 2(3H)-Furanone, 4-[2-(1,3-benzodioxol-5-yl)-1,3-dithian-2-yl]dihydro-, J2.201.542G, 4-[2-(1,3-benzodioxol-5-yl)-1,3-dithian-2-yl]oxolan-2-one, 4-(2-(benzo[d][1,3]dioxol-5-yl)-1,3-dithian-2-yl)dihydrofuran-2(3H)-one
| Molecular Formula | C15H16O4S2 |
|---|---|
| Molecular Weight | 324.05 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 95.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 324.049 |
| Heavy Atoms | 21 |
| Complexity | 410.0 |
Chemical Identifiers
| CAS Number | 67838-86-2 |
|---|---|
| SMILES | C1CSC(SC1)(C2CC(=O)OC2)C3=CC4=C(C=C3)OCO4 |
| InChIKey | OWUSQWFRFADSFN-UHFFFAOYSA-N |
Product Overview
4-(2-(1,3-Benzodioxol-5-yl)-1,3-dithian-2-yl)dihydro-2(3H)-furanone (CAS 67838-86-2), with molecular formula C15H16O4S2 and molecular weight 324.05 g/mol. IUPAC: 4-[2-(1,3-benzodioxol-5-yl)-1,3-dithian-2-yl]oxolan-2-one.
Chemical Property Profile of 4-(2-(1,3-Benzodioxol-5-yl)-1,3-dithian-2-yl)dihydro-2(3H)-furanone
Property Insights of 4-(2-(1,3-Benzodioxol-5-yl)-1,3-dithian-2-yl)dihydro-2(3H)-furanone
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-(1,3-Benzodioxol-5-yl)-1,3-dithian-2-yl)dihydro-2(3H)-furanone. The TPSA of 95.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-(1,3-Benzodioxol-5-yl)-1,3-dithian-2-yl)dihydro-2(3H)-furanone. Following Lipinski's Rule of Five, 4-(2-(1,3-Benzodioxol-5-yl)-1,3-dithian-2-yl)dihydro-2(3H)-furanone has 0 hydrogen bond donor(s) and 6 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-(2-(1,3-Benzodioxol-5-yl)-1,3-dithian-2-yl)dihydro-2(3H)-furanone?
The CAS number of 4-(2-(1,3-Benzodioxol-5-yl)-1,3-dithian-2-yl)dihydro-2(3H)-furanone is 67838-86-2.
What is the molecular formula of 4-(2-(1,3-Benzodioxol-5-yl)-1,3-dithian-2-yl)dihydro-2(3H)-furanone?
The molecular formula of 4-(2-(1,3-Benzodioxol-5-yl)-1,3-dithian-2-yl)dihydro-2(3H)-furanone is C15H16O4S2.
What is the molecular weight of 4-(2-(1,3-Benzodioxol-5-yl)-1,3-dithian-2-yl)dihydro-2(3H)-furanone?
The molecular weight of 4-(2-(1,3-Benzodioxol-5-yl)-1,3-dithian-2-yl)dihydro-2(3H)-furanone is 324.05 g/mol.
Where can I buy 4-(2-(1,3-Benzodioxol-5-yl)-1,3-dithian-2-yl)dihydro-2(3H)-furanone?
You can request a quote for 4-(2-(1,3-Benzodioxol-5-yl)-1,3-dithian-2-yl)dihydro-2(3H)-furanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-(1,3-Benzodioxol-5-yl)-1,3-dithian-2-yl)dihydro-2(3H)-furanone?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-(1,3-Benzodioxol-5-yl)-1,3-dithian-2-yl)dihydro-2(3H)-furanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.