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Benzo[1,2:4,5]dicycloheptene-3,9-dione
TL;DR: Benzo[1,2:4,5]dicycloheptene-3,9-dione (CAS 25045-46-9) is a chemical compound with molecular formula C16H10O2 and molecular weight 234.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tricyclo[9.5.0.03,9]hexadeca-1(11),2,4,7,9,12,15-heptaene-6,14-dione
Also Known As: Benzo[1,2:4,5]dicycloheptene-3,9-dione, Benzo[1,2-a:4,5-a']di[7]annulene-3,9-dione, tricyclo[9.5.0.03,9]hexadeca-1,3(9),4,7,10,12,15-heptaene-6,14-dione
| Molecular Formula | C16H10O2 |
|---|---|
| Molecular Weight | 234.07 g/mol |
| LogP | 2.7134 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 234.06808 |
| Heavy Atoms | 18 |
| Complexity | 729.1529 |
Chemical Identifiers
| CAS Number | 25045-46-9 |
|---|---|
| SMILES | C1=CC2=CC3=C(C=CC(=O)C=C3)C=C2C=CC1=O |
Product Overview
Benzo[1,2:4,5]dicycloheptene-3,9-dione (CAS 25045-46-9), with molecular formula C16H10O2 and molecular weight 234.07 g/mol. IUPAC: tricyclo[9.5.0.03,9]hexadeca-1(11),2,4,7,9,12,15-heptaene-6,14-dione.
Chemical Property Profile of Benzo[1,2:4,5]dicycloheptene-3,9-dione
Property Insights of Benzo[1,2:4,5]dicycloheptene-3,9-dione
The XLogP value of 2.7134 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzo[1,2:4,5]dicycloheptene-3,9-dione. With a topological polar surface area (TPSA) of 34.14 Ų, Benzo[1,2:4,5]dicycloheptene-3,9-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo[1,2:4,5]dicycloheptene-3,9-dione 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 Benzo[1,2:4,5]dicycloheptene-3,9-dione?
The CAS number of Benzo[1,2:4,5]dicycloheptene-3,9-dione is 25045-46-9.
What is the molecular formula of Benzo[1,2:4,5]dicycloheptene-3,9-dione?
The molecular formula of Benzo[1,2:4,5]dicycloheptene-3,9-dione is C16H10O2.
What is the molecular weight of Benzo[1,2:4,5]dicycloheptene-3,9-dione?
The molecular weight of Benzo[1,2:4,5]dicycloheptene-3,9-dione is 234.07 g/mol.
Where can I buy Benzo[1,2:4,5]dicycloheptene-3,9-dione?
You can request a quote for Benzo[1,2:4,5]dicycloheptene-3,9-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo[1,2:4,5]dicycloheptene-3,9-dione?
Yes, KEHONG BIO provides custom synthesis services for Benzo[1,2:4,5]dicycloheptene-3,9-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.