2(5H)-Oxepinone, 6,7-dihydro-
TL;DR: 2(5H)-Oxepinone, 6,7-dihydro- (CAS 57205-07-9) is a chemical compound with molecular formula C6H8O2 and molecular weight 112.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dihydro-2H-oxepin-7-one
Also Known As: hexenolactone, 2(5H)-Oxepinone, 6,7-dihydro-, 6,7-dihydrooxepin-2(5H)-one, 3,4-dihydro-2H-oxepin-7-one, 1-Oxacyclohepta-3-en-2-one
| Molecular Formula | C6H8O2 |
|---|---|
| Molecular Weight | 112.05 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 112.05243 |
| Heavy Atoms | 8 |
| Complexity | 116.0 |
Chemical Identifiers
| CAS Number | 57205-07-9 |
|---|---|
| SMILES | C1CC=CC(=O)OC1 |
| InChIKey | QKRUPRBAQFNCCY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2(5H)-Oxepinone, 6,7-dihydro- (CAS 57205-07-9), with molecular formula C6H8O2 and molecular weight 112.05 g/mol. IUPAC: 3,4-dihydro-2H-oxepin-7-one.
Chemical Property Profile of 2(5H)-Oxepinone, 6,7-dihydro-
Property Insights of 2(5H)-Oxepinone, 6,7-dihydro-
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2(5H)-Oxepinone, 6,7-dihydro-. With a topological polar surface area (TPSA) of 26.3 Ų, 2(5H)-Oxepinone, 6,7-dihydro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2(5H)-Oxepinone, 6,7-dihydro- 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 2(5H)-Oxepinone, 6,7-dihydro-?
The CAS number of 2(5H)-Oxepinone, 6,7-dihydro- is 57205-07-9.
What is the molecular formula of 2(5H)-Oxepinone, 6,7-dihydro-?
The molecular formula of 2(5H)-Oxepinone, 6,7-dihydro- is C6H8O2.
What is the molecular weight of 2(5H)-Oxepinone, 6,7-dihydro-?
The molecular weight of 2(5H)-Oxepinone, 6,7-dihydro- is 112.05 g/mol.
Where can I buy 2(5H)-Oxepinone, 6,7-dihydro-?
You can request a quote for 2(5H)-Oxepinone, 6,7-dihydro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2(5H)-Oxepinone, 6,7-dihydro-?
Yes, KEHONG BIO provides custom synthesis services for 2(5H)-Oxepinone, 6,7-dihydro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.