1,4-Benzodioxan
TL;DR: 1,4-Benzodioxan (CAS 493-09-4) is a chemical compound with molecular formula C8H8O2 and molecular weight 136.05243 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,3-dihydro-1,4-benzodioxine
Also Known As: 1,4-Benzodioxane, 1,4-BENZODIOXAN, 2,3-dihydrobenzo[b][1,4]dioxine, benzodioxan, 2,3-Dihydro-1,4-benzodioxine
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H8O2 |
| Molecular Weight | 136.05243 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 136.05243 Da |
| Heavy Atoms | 10 |
| Complexity | 99.0 |
| SMILES | C1COC2=CC=CC=C2O1 |
| InChIKey | BNBQRQQYDMDJAH-UHFFFAOYSA-N |
Product Description
Applications: 1,4-Benzodioxan is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A pharmaceutical intermediate supplied by CoreyChem, 1,4-Benzodioxan (CAS 493-09-4) has the molecular formula C8H8O2 and a molecular weight of 136.05 g/mol. Synonyms include 1,4-Benzodioxane and 1,4-BENZODIOXAN.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 1,4-Benzodioxan
Property Insights of 1,4-Benzodioxan
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Benzodioxan. With a topological polar surface area (TPSA) of 18.5 Ų, 1,4-Benzodioxan exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Benzodioxan 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
What is the CAS number of 1,4-Benzodioxan?
The CAS number of 1,4-Benzodioxan is 493-09-4.
What is the molecular formula of 1,4-Benzodioxan?
The molecular formula of 1,4-Benzodioxan is C8H8O2.
What is the molecular weight of 1,4-Benzodioxan?
The molecular weight of 1,4-Benzodioxan is 136.05243 g/mol.
What are the applications of 1,4-Benzodioxan?
1,4-Benzodioxan is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy 1,4-Benzodioxan?
You can request a quote for 1,4-Benzodioxan directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,4-Benzodioxan?
Yes, CoreyChem provides custom synthesis services for 1,4-Benzodioxan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.