Cycloocta-2,7-dien-1-one
TL;DR: Cycloocta-2,7-dien-1-one (CAS 1073-76-3) is a chemical compound with molecular formula C8H10O and molecular weight 122.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cycloocta-2,7-dien-1-one
Also Known As: cycloocta-2,7-dien-1-one, 1,4-Cyclooctadiene-3-one, Cycloocta-2,7-dienone, 2,7-Cyclooctadien-1-one
| Molecular Formula | C8H10O |
|---|---|
| Molecular Weight | 122.07 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 122.073166 |
| Heavy Atoms | 9 |
| Complexity | 138.0 |
Chemical Identifiers
| CAS Number | 1073-76-3 |
|---|---|
| SMILES | C1CC=CC(=O)C=CC1 |
| InChIKey | HEDBDDAUWRQANO-UHFFFAOYSA-N |
Product Overview
Cycloocta-2,7-dien-1-one (CAS 1073-76-3), with molecular formula C8H10O and molecular weight 122.07 g/mol. IUPAC: cycloocta-2,7-dien-1-one.
Chemical Property Profile of Cycloocta-2,7-dien-1-one
Property Insights of Cycloocta-2,7-dien-1-one
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cycloocta-2,7-dien-1-one. With a topological polar surface area (TPSA) of 17.1 Ų, Cycloocta-2,7-dien-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cycloocta-2,7-dien-1-one has 0 hydrogen bond donor(s) and 1 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 Cycloocta-2,7-dien-1-one?
The CAS number of Cycloocta-2,7-dien-1-one is 1073-76-3.
What is the molecular formula of Cycloocta-2,7-dien-1-one?
The molecular formula of Cycloocta-2,7-dien-1-one is C8H10O.
What is the molecular weight of Cycloocta-2,7-dien-1-one?
The molecular weight of Cycloocta-2,7-dien-1-one is 122.07 g/mol.
Where can I buy Cycloocta-2,7-dien-1-one?
You can request a quote for Cycloocta-2,7-dien-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cycloocta-2,7-dien-1-one?
Yes, KEHONG BIO provides custom synthesis services for Cycloocta-2,7-dien-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.