4-(2H-1,3-Benzodioxole-5-carbonyl)oxolan-2-one
TL;DR: 4-(2H-1,3-Benzodioxole-5-carbonyl)oxolan-2-one (CAS 16108-39-7) is a chemical compound with molecular formula C12H10O5 and molecular weight 234.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-benzodioxole-5-carbonyl)oxolan-2-one
Also Known As: 4-(1,3-benzodioxole-5-carbonyl)oxolan-2-one, Benzamide,N-methyl-N-(oxophenylethenyl), 3-(3,4-methylenedioxybenzoyl)-4-butanolide, 4-(2H-1,3-Benzodioxole-5-carbonyl)oxolan-2-one, 4-(Benzo[d][1,3]dioxole-5-carbonyl)dihydrofuran-2(3H)-one
| Molecular Formula | C12H10O5 |
|---|---|
| Molecular Weight | 234.05 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 234.05283 |
| Heavy Atoms | 17 |
| Complexity | 340.0 |
Chemical Identifiers
| CAS Number | 16108-39-7 |
|---|---|
| SMILES | C1C(COC1=O)C(=O)C2=CC3=C(C=C2)OCO3 |
| InChIKey | JUFLOKBWHMAKPO-UHFFFAOYSA-N |
Product Overview
4-(2H-1,3-Benzodioxole-5-carbonyl)oxolan-2-one (CAS 16108-39-7), with molecular formula C12H10O5 and molecular weight 234.05 g/mol. IUPAC: 4-(1,3-benzodioxole-5-carbonyl)oxolan-2-one.
Chemical Property Profile of 4-(2H-1,3-Benzodioxole-5-carbonyl)oxolan-2-one
Property Insights of 4-(2H-1,3-Benzodioxole-5-carbonyl)oxolan-2-one
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2H-1,3-Benzodioxole-5-carbonyl)oxolan-2-one. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2H-1,3-Benzodioxole-5-carbonyl)oxolan-2-one. Following Lipinski's Rule of Five, 4-(2H-1,3-Benzodioxole-5-carbonyl)oxolan-2-one has 0 hydrogen bond donor(s) and 5 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-(2H-1,3-Benzodioxole-5-carbonyl)oxolan-2-one?
The CAS number of 4-(2H-1,3-Benzodioxole-5-carbonyl)oxolan-2-one is 16108-39-7.
What is the molecular formula of 4-(2H-1,3-Benzodioxole-5-carbonyl)oxolan-2-one?
The molecular formula of 4-(2H-1,3-Benzodioxole-5-carbonyl)oxolan-2-one is C12H10O5.
What is the molecular weight of 4-(2H-1,3-Benzodioxole-5-carbonyl)oxolan-2-one?
The molecular weight of 4-(2H-1,3-Benzodioxole-5-carbonyl)oxolan-2-one is 234.05 g/mol.
Where can I buy 4-(2H-1,3-Benzodioxole-5-carbonyl)oxolan-2-one?
You can request a quote for 4-(2H-1,3-Benzodioxole-5-carbonyl)oxolan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2H-1,3-Benzodioxole-5-carbonyl)oxolan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(2H-1,3-Benzodioxole-5-carbonyl)oxolan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.