![Bicyclo[4.2.0]octa-1,3,5-triene-7,8-diyl diacetate structure](/static/products/529/52991-61-4.png)
Bicyclo[4.2.0]octa-1,3,5-triene-7,8-diyl diacetate
TL;DR: Bicyclo[4.2.0]octa-1,3,5-triene-7,8-diyl diacetate (CAS 52991-61-4) is a chemical compound with molecular formula C12H12O4 and molecular weight 220.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8-acetyloxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl) acetate
Also Known As: bicyclo[4.2.0]octa-1,3,5-triene-7,8-diyl diacetate, bicyclo[4.2.0]octa-1(6),2,4-triene-7,8-diyl diacetate, (7-acetyloxy-8-bicyclo[4.2.0]octa-1,3,5-trienyl) acetate, 1H-Indene-1,3(2H)-dione,2-[3-(4-chlorophenyl)-1-oxo-2-propenyl], Bicyclo[4.2.0]octa-1,3,5-triene-7,8-diol,diacetate, trans- (9CI)
| Molecular Formula | C12H12O4 |
|---|---|
| Molecular Weight | 220.07 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 220.07356 |
| Heavy Atoms | 16 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 52991-61-4 |
|---|---|
| SMILES | CC(=O)OC1C(C2=CC=CC=C12)OC(=O)C |
| InChIKey | IDJCWNFZCYUTTH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bicyclo[4.2.0]octa-1,3,5-triene-7,8-diyl diacetate (CAS 52991-61-4), with molecular formula C12H12O4 and molecular weight 220.07 g/mol. IUPAC: (8-acetyloxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl) acetate.
Chemical Property Profile of Bicyclo[4.2.0]octa-1,3,5-triene-7,8-diyl diacetate
Property Insights of Bicyclo[4.2.0]octa-1,3,5-triene-7,8-diyl diacetate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bicyclo[4.2.0]octa-1,3,5-triene-7,8-diyl diacetate. With a topological polar surface area (TPSA) of 52.6 Ų, Bicyclo[4.2.0]octa-1,3,5-triene-7,8-diyl diacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bicyclo[4.2.0]octa-1,3,5-triene-7,8-diyl diacetate has 0 hydrogen bond donor(s) and 4 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 Bicyclo[4.2.0]octa-1,3,5-triene-7,8-diyl diacetate?
The CAS number of Bicyclo[4.2.0]octa-1,3,5-triene-7,8-diyl diacetate is 52991-61-4.
What is the molecular formula of Bicyclo[4.2.0]octa-1,3,5-triene-7,8-diyl diacetate?
The molecular formula of Bicyclo[4.2.0]octa-1,3,5-triene-7,8-diyl diacetate is C12H12O4.
What is the molecular weight of Bicyclo[4.2.0]octa-1,3,5-triene-7,8-diyl diacetate?
The molecular weight of Bicyclo[4.2.0]octa-1,3,5-triene-7,8-diyl diacetate is 220.07 g/mol.
Where can I buy Bicyclo[4.2.0]octa-1,3,5-triene-7,8-diyl diacetate?
You can request a quote for Bicyclo[4.2.0]octa-1,3,5-triene-7,8-diyl diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bicyclo[4.2.0]octa-1,3,5-triene-7,8-diyl diacetate?
Yes, KEHONG BIO provides custom synthesis services for Bicyclo[4.2.0]octa-1,3,5-triene-7,8-diyl diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.