Spiro(2,4)hepta-4,6-diene
TL;DR: Spiro(2,4)hepta-4,6-diene (CAS 765-46-8) is a chemical compound with molecular formula C1CC12C=CC=C2 and molecular weight 92.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
spiro[2.4]hepta-4,6-diene
Also Known As: Spiro[2.4]hepta-4,6-diene, Spiroheptadiene, Spiro(2,4)hepta-4,6-diene, Spiro[2,4]hepta-4,6-diene, spiro[2.4]hepta-4,6-dien
| Molecular Formula | C1CC12C=CC=C2 |
|---|---|
| Molecular Weight | 92.06 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 92.0626 |
| Heavy Atoms | 7 |
| Complexity | 122.0 |
Chemical Identifiers
| CAS Number | 765-46-8 |
|---|---|
| SMILES | C1CC12C=CC=C2 |
| InChIKey | KPDOKSJMJMDRQA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Spiro(2,4)hepta-4,6-diene (CAS 765-46-8), with molecular formula C1CC12C=CC=C2 and molecular weight 92.06 g/mol. IUPAC: spiro[2.4]hepta-4,6-diene.
Chemical Property Profile of Spiro(2,4)hepta-4,6-diene
Property Insights of Spiro(2,4)hepta-4,6-diene
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Spiro(2,4)hepta-4,6-diene. With a topological polar surface area (TPSA) of 0.0 Ų, Spiro(2,4)hepta-4,6-diene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Spiro(2,4)hepta-4,6-diene has 0 hydrogen bond donor(s) and 0 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 Spiro(2,4)hepta-4,6-diene?
The CAS number of Spiro(2,4)hepta-4,6-diene is 765-46-8.
What is the molecular formula of Spiro(2,4)hepta-4,6-diene?
The molecular formula of Spiro(2,4)hepta-4,6-diene is C1CC12C=CC=C2.
What is the molecular weight of Spiro(2,4)hepta-4,6-diene?
The molecular weight of Spiro(2,4)hepta-4,6-diene is 92.06 g/mol.
Where can I buy Spiro(2,4)hepta-4,6-diene?
You can request a quote for Spiro(2,4)hepta-4,6-diene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Spiro(2,4)hepta-4,6-diene?
Yes, KEHONG BIO provides custom synthesis services for Spiro(2,4)hepta-4,6-diene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.