Triphenylene-1,2-diyl diacetate
TL;DR: Triphenylene-1,2-diyl diacetate (CAS 84040-74-4) is a chemical compound with molecular formula C22H16O4 and molecular weight 344.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-acetyloxytriphenylen-2-yl) acetate
Also Known As: triphenylene-1,2-diyl diacetate, (1-acetyloxytriphenylen-2-yl) Acetate, 1,2-Triphenylenediol, 1,2-diacetate
| Molecular Formula | C22H16O4 |
|---|---|
| Molecular Weight | 344.10 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 344.10486 |
| Heavy Atoms | 26 |
| Complexity | 544.0 |
Chemical Identifiers
| CAS Number | 84040-74-4 |
|---|---|
| SMILES | CC(=O)OC1=C(C2=C(C=C1)C3=CC=CC=C3C4=CC=CC=C42)OC(=O)C |
| InChIKey | VJOXFQFHSCQHGT-UHFFFAOYSA-N |
Product Overview
Triphenylene-1,2-diyl diacetate (CAS 84040-74-4), with molecular formula C22H16O4 and molecular weight 344.10 g/mol. IUPAC: (1-acetyloxytriphenylen-2-yl) acetate.
Chemical Property Profile of Triphenylene-1,2-diyl diacetate
Property Insights of Triphenylene-1,2-diyl diacetate
The XLogP value of 4.4 indicates that Triphenylene-1,2-diyl diacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Triphenylene-1,2-diyl diacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Triphenylene-1,2-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 Triphenylene-1,2-diyl diacetate?
The CAS number of Triphenylene-1,2-diyl diacetate is 84040-74-4.
What is the molecular formula of Triphenylene-1,2-diyl diacetate?
The molecular formula of Triphenylene-1,2-diyl diacetate is C22H16O4.
What is the molecular weight of Triphenylene-1,2-diyl diacetate?
The molecular weight of Triphenylene-1,2-diyl diacetate is 344.10 g/mol.
Where can I buy Triphenylene-1,2-diyl diacetate?
You can request a quote for Triphenylene-1,2-diyl diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Triphenylene-1,2-diyl diacetate?
Yes, KEHONG BIO provides custom synthesis services for Triphenylene-1,2-diyl diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.