1,4-Benzodioxan-2-one
TL;DR: 1,4-Benzodioxan-2-one (CAS 4385-48-2) is a chemical compound with molecular formula C8H6O3 and molecular weight 150.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-benzodioxin-3-one
Also Known As: 2,3-dihydro-1,4-benzodioxin-2-one, Benzo[b][1,4]dioxin-2(3H)-one, 1,4-benzodioxin-3-one, benzodioxinone, 1,4-Benzodioxin-2(3H)-one
| Molecular Formula | C8H6O3 |
|---|---|
| Molecular Weight | 150.03 g/mol |
| LogP | 0.9844 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 150.0317 |
| Heavy Atoms | 11 |
| Complexity | 293.1436 |
Chemical Identifiers
| CAS Number | 4385-48-2 |
|---|---|
| SMILES | C1C(=O)OC2=CC=CC=C2O1 |
Product Overview
1,4-Benzodioxan-2-one (CAS 4385-48-2), with molecular formula C8H6O3 and molecular weight 150.03 g/mol. IUPAC: 1,4-benzodioxin-3-one.
Chemical Property Profile of 1,4-Benzodioxan-2-one
Property Insights of 1,4-Benzodioxan-2-one
The XLogP value of 0.9844 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Benzodioxan-2-one. With a topological polar surface area (TPSA) of 35.53 Ų, 1,4-Benzodioxan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Benzodioxan-2-one has 0 hydrogen bond donor(s) and 3 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 1,4-Benzodioxan-2-one?
The CAS number of 1,4-Benzodioxan-2-one is 4385-48-2.
What is the molecular formula of 1,4-Benzodioxan-2-one?
The molecular formula of 1,4-Benzodioxan-2-one is C8H6O3.
What is the molecular weight of 1,4-Benzodioxan-2-one?
The molecular weight of 1,4-Benzodioxan-2-one is 150.03 g/mol.
Where can I buy 1,4-Benzodioxan-2-one?
You can request a quote for 1,4-Benzodioxan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Benzodioxan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Benzodioxan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.