(4-Benzoyloxy-6,7-dimethyl-5,8-dioxonaphthalen-1-yl) benzoate
TL;DR: (4-Benzoyloxy-6,7-dimethyl-5,8-dioxonaphthalen-1-yl) benzoate (CAS 57998-98-8) is a chemical compound with molecular formula C26H18O6 and molecular weight 426.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-benzoyloxy-6,7-dimethyl-5,8-dioxonaphthalen-1-yl) benzoate
Also Known As: (4-benzoyloxy-6,7-dimethyl-5,8-dioxonaphthalen-1-yl) benzoate, (4-benzoyloxy-6,7-dimethyl-5,8-dioxonaphthalen-1-yl) benzoat, 6,7-Dimethyl-5,8-dioxo-5,8-dihydronaphthalene-1,4-diyl dibenzoate, 4-(benzoyloxy)-6,7-dimethyl-5,8-dioxo-5,8-dihydronaphthalen-1-yl benzoate, 4-(BENZOYLOXY)-6,7-DIMETHYL-5,8-DIOXO-5,8-DIHYDRO-1-NAPHTHALENYL BENZOATE
| Molecular Formula | C26H18O6 |
|---|---|
| Molecular Weight | 426.11 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 86.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 426.11035 |
| Heavy Atoms | 32 |
| Complexity | 733.0 |
Chemical Identifiers
| CAS Number | 57998-98-8 |
|---|---|
| SMILES | CC1=C(C(=O)C2=C(C=CC(=C2C1=O)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)C |
| InChIKey | LPLVIXJGZXJADR-UHFFFAOYSA-N |
Product Overview
(4-Benzoyloxy-6,7-dimethyl-5,8-dioxonaphthalen-1-yl) benzoate (CAS 57998-98-8), with molecular formula C26H18O6 and molecular weight 426.11 g/mol. IUPAC: (4-benzoyloxy-6,7-dimethyl-5,8-dioxonaphthalen-1-yl) benzoate.
Chemical Property Profile of (4-Benzoyloxy-6,7-dimethyl-5,8-dioxonaphthalen-1-yl) benzoate
Property Insights of (4-Benzoyloxy-6,7-dimethyl-5,8-dioxonaphthalen-1-yl) benzoate
The XLogP value of 5.0 indicates that (4-Benzoyloxy-6,7-dimethyl-5,8-dioxonaphthalen-1-yl) benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Benzoyloxy-6,7-dimethyl-5,8-dioxonaphthalen-1-yl) benzoate. Following Lipinski's Rule of Five, (4-Benzoyloxy-6,7-dimethyl-5,8-dioxonaphthalen-1-yl) benzoate has 0 hydrogen bond donor(s) and 6 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 (4-Benzoyloxy-6,7-dimethyl-5,8-dioxonaphthalen-1-yl) benzoate?
The CAS number of (4-Benzoyloxy-6,7-dimethyl-5,8-dioxonaphthalen-1-yl) benzoate is 57998-98-8.
What is the molecular formula of (4-Benzoyloxy-6,7-dimethyl-5,8-dioxonaphthalen-1-yl) benzoate?
The molecular formula of (4-Benzoyloxy-6,7-dimethyl-5,8-dioxonaphthalen-1-yl) benzoate is C26H18O6.
What is the molecular weight of (4-Benzoyloxy-6,7-dimethyl-5,8-dioxonaphthalen-1-yl) benzoate?
The molecular weight of (4-Benzoyloxy-6,7-dimethyl-5,8-dioxonaphthalen-1-yl) benzoate is 426.11 g/mol.
Where can I buy (4-Benzoyloxy-6,7-dimethyl-5,8-dioxonaphthalen-1-yl) benzoate?
You can request a quote for (4-Benzoyloxy-6,7-dimethyl-5,8-dioxonaphthalen-1-yl) benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Benzoyloxy-6,7-dimethyl-5,8-dioxonaphthalen-1-yl) benzoate?
Yes, KEHONG BIO provides custom synthesis services for (4-Benzoyloxy-6,7-dimethyl-5,8-dioxonaphthalen-1-yl) benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.