4H-1,3-Benzodioxin
TL;DR: 4H-1,3-Benzodioxin (CAS 254-27-3) is a chemical compound with molecular formula C8H8O2 and molecular weight 136.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4H-1,3-benzodioxine
Also Known As: 1,3-Benzodioxan, 4H-1,3-Benzodioxin, benzopyrylium, 1,3-benzdioxin, 4H-1,3-Benzodioxine
| Molecular Formula | C8H8O2 |
|---|---|
| Molecular Weight | 136.05 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 136.05243 |
| Heavy Atoms | 10 |
| Complexity | 114.0 |
Chemical Identifiers
| CAS Number | 254-27-3 |
|---|---|
| SMILES | C1C2=CC=CC=C2OCO1 |
| InChIKey | TWSIYGATPWEKBK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4H-1,3-Benzodioxin (CAS 254-27-3), with molecular formula C8H8O2 and molecular weight 136.05 g/mol. IUPAC: 4H-1,3-benzodioxine.
Chemical Property Profile of 4H-1,3-Benzodioxin
Property Insights of 4H-1,3-Benzodioxin
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-1,3-Benzodioxin. With a topological polar surface area (TPSA) of 18.5 Ų, 4H-1,3-Benzodioxin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H-1,3-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 4H-1,3-Benzodioxin?
The CAS number of 4H-1,3-Benzodioxin is 254-27-3.
What is the molecular formula of 4H-1,3-Benzodioxin?
The molecular formula of 4H-1,3-Benzodioxin is C8H8O2.
What is the molecular weight of 4H-1,3-Benzodioxin?
The molecular weight of 4H-1,3-Benzodioxin is 136.05 g/mol.
Where can I buy 4H-1,3-Benzodioxin?
You can request a quote for 4H-1,3-Benzodioxin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-1,3-Benzodioxin?
Yes, KEHONG BIO provides custom synthesis services for 4H-1,3-Benzodioxin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.