3,4-dihydro-2H-1,5-benzodioxepine
TL;DR: 3,4-dihydro-2H-1,5-benzodioxepine (CAS 7216-18-4) is a chemical compound with molecular formula C9H10O2 and molecular weight 150.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dihydro-2H-1,5-benzodioxepine
Also Known As: 3,4-Dihydro-2H-1,5-benzodioxepine, 3,4-Dihydro-2H-benzo[b][1,4]dioxepine, 3,4-dihydro-2h-1,5-benzodioxepin, 1,2-TRIMETHYLENEDIOXYBENZENE, 2H-1,5-Benzodioxepin, 3,4-dihydro-
| Molecular Formula | C9H10O2 |
|---|---|
| Molecular Weight | 150.07 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 150.06808 |
| Heavy Atoms | 11 |
| Complexity | 111.0 |
Chemical Identifiers
| CAS Number | 7216-18-4 |
|---|---|
| SMILES | C1COC2=CC=CC=C2OC1 |
| InChIKey | CBXMULHQEVXJDI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-dihydro-2H-1,5-benzodioxepine (CAS 7216-18-4), with molecular formula C9H10O2 and molecular weight 150.07 g/mol. IUPAC: 3,4-dihydro-2H-1,5-benzodioxepine.
Chemical Property Profile of 3,4-dihydro-2H-1,5-benzodioxepine
Property Insights of 3,4-dihydro-2H-1,5-benzodioxepine
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-dihydro-2H-1,5-benzodioxepine. With a topological polar surface area (TPSA) of 18.5 Ų, 3,4-dihydro-2H-1,5-benzodioxepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-dihydro-2H-1,5-benzodioxepine 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 3,4-dihydro-2H-1,5-benzodioxepine?
The CAS number of 3,4-dihydro-2H-1,5-benzodioxepine is 7216-18-4.
What is the molecular formula of 3,4-dihydro-2H-1,5-benzodioxepine?
The molecular formula of 3,4-dihydro-2H-1,5-benzodioxepine is C9H10O2.
What is the molecular weight of 3,4-dihydro-2H-1,5-benzodioxepine?
The molecular weight of 3,4-dihydro-2H-1,5-benzodioxepine is 150.07 g/mol.
Where can I buy 3,4-dihydro-2H-1,5-benzodioxepine?
You can request a quote for 3,4-dihydro-2H-1,5-benzodioxepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-dihydro-2H-1,5-benzodioxepine?
Yes, KEHONG BIO provides custom synthesis services for 3,4-dihydro-2H-1,5-benzodioxepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.