1,4-Benzodioxin
TL;DR: 1,4-Benzodioxin (CAS 2621-73-0) is a chemical compound with molecular formula C1=CC=C2C(=C1)OC=CO2 and molecular weight 134.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-benzodioxine
Also Known As: 1,4-Benzodioxin, 1,4-Benzodioxine, benzodioxin, benzodioxine, benzo-p-dioxin
| Molecular Formula | C1=CC=C2C(=C1)OC=CO2 |
|---|---|
| Molecular Weight | 134.04 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 134.03677 |
| Heavy Atoms | 10 |
| Complexity | 126.0 |
Chemical Identifiers
| CAS Number | 2621-73-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)OC=CO2 |
| InChIKey | HPARLNRMYDSBNO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Benzodioxin (CAS 2621-73-0), with molecular formula C1=CC=C2C(=C1)OC=CO2 and molecular weight 134.04 g/mol. IUPAC: 1,4-benzodioxine.
Chemical Property Profile of 1,4-Benzodioxin
Property Insights of 1,4-Benzodioxin
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Benzodioxin. With a topological polar surface area (TPSA) of 18.5 Ų, 1,4-Benzodioxin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Benzodioxin has 0 hydrogen bond donor(s) and 2 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-Benzodioxin?
The CAS number of 1,4-Benzodioxin is 2621-73-0.
What is the molecular formula of 1,4-Benzodioxin?
The molecular formula of 1,4-Benzodioxin is C1=CC=C2C(=C1)OC=CO2.
What is the molecular weight of 1,4-Benzodioxin?
The molecular weight of 1,4-Benzodioxin is 134.04 g/mol.
Where can I buy 1,4-Benzodioxin?
You can request a quote for 1,4-Benzodioxin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Benzodioxin?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Benzodioxin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.