4,7-Dihydro-2-phenyl-1,3-dioxepin
TL;DR: 4,7-Dihydro-2-phenyl-1,3-dioxepin (CAS 25859-09-0) is a chemical compound with molecular formula C11H12O2 and molecular weight 176.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenyl-4,7-dihydro-1,3-dioxepine
Also Known As: 4,7-Dihydro-2-phenyl-1,3-dioxepin, 2-phenyl-4,7-dihydro-1,3-dioxepine, 2-Phenyl-1,3-dioxep-5-ene, 2-Phenyl-4,7-dihydro-1,3-dioxepin, 1,3-Dioxepin,4,7-dihydro-2-phenyl-
| Molecular Formula | C11H12O2 |
|---|---|
| Molecular Weight | 176.08 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 176.08372 |
| Heavy Atoms | 13 |
| Complexity | 161.0 |
Chemical Identifiers
| CAS Number | 25859-09-0 |
|---|---|
| SMILES | C1C=CCOC(O1)C2=CC=CC=C2 |
| InChIKey | DRRPAFPCDLXMFG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,7-Dihydro-2-phenyl-1,3-dioxepin (CAS 25859-09-0), with molecular formula C11H12O2 and molecular weight 176.08 g/mol. IUPAC: 2-phenyl-4,7-dihydro-1,3-dioxepine.
Chemical Property Profile of 4,7-Dihydro-2-phenyl-1,3-dioxepin
Property Insights of 4,7-Dihydro-2-phenyl-1,3-dioxepin
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,7-Dihydro-2-phenyl-1,3-dioxepin. With a topological polar surface area (TPSA) of 18.5 Ų, 4,7-Dihydro-2-phenyl-1,3-dioxepin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,7-Dihydro-2-phenyl-1,3-dioxepin 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 4,7-Dihydro-2-phenyl-1,3-dioxepin?
The CAS number of 4,7-Dihydro-2-phenyl-1,3-dioxepin is 25859-09-0.
What is the molecular formula of 4,7-Dihydro-2-phenyl-1,3-dioxepin?
The molecular formula of 4,7-Dihydro-2-phenyl-1,3-dioxepin is C11H12O2.
What is the molecular weight of 4,7-Dihydro-2-phenyl-1,3-dioxepin?
The molecular weight of 4,7-Dihydro-2-phenyl-1,3-dioxepin is 176.08 g/mol.
Where can I buy 4,7-Dihydro-2-phenyl-1,3-dioxepin?
You can request a quote for 4,7-Dihydro-2-phenyl-1,3-dioxepin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,7-Dihydro-2-phenyl-1,3-dioxepin?
Yes, KEHONG BIO provides custom synthesis services for 4,7-Dihydro-2-phenyl-1,3-dioxepin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.