Benz(a)anthracene-1,2-diol, 1,2-diacetate
TL;DR: Benz(a)anthracene-1,2-diol, 1,2-diacetate (CAS 84040-73-3) 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-acetyloxybenzo[a]anthracen-2-yl) acetate
Also Known As: Tetraphene-1,2-diyl diacetate, Benz(a)anthracene-1,2-diol, 1,2-diacetate, (1-acetyloxybenzo[a]anthracen-2-yl) acetate, 3,6-dihydro-2,4,5-trimethyl-2H-thiopyran, Acetic acid 2-acetoxy-benzo[a]anthracen-1-yl ester
| Molecular Formula | C22H16O4 |
|---|---|
| Molecular Weight | 344.10 g/mol |
| LogP | 5.2 |
| 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 | 84040-73-3 |
|---|---|
| SMILES | CC(=O)OC1=C(C2=C(C=CC3=CC4=CC=CC=C4C=C32)C=C1)OC(=O)C |
| InChIKey | AONXHVFMNYEETQ-UHFFFAOYSA-N |
Product Overview
Benz(a)anthracene-1,2-diol, 1,2-diacetate (CAS 84040-73-3), with molecular formula C22H16O4 and molecular weight 344.10 g/mol. IUPAC: (1-acetyloxybenzo[a]anthracen-2-yl) acetate.
Chemical Property Profile of Benz(a)anthracene-1,2-diol, 1,2-diacetate
Property Insights of Benz(a)anthracene-1,2-diol, 1,2-diacetate
The XLogP value of 5.2 indicates that Benz(a)anthracene-1,2-diol, 1,2-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, Benz(a)anthracene-1,2-diol, 1,2-diacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benz(a)anthracene-1,2-diol, 1,2-diacetate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benz(a)anthracene-1,2-diol, 1,2-diacetate?
The CAS number of Benz(a)anthracene-1,2-diol, 1,2-diacetate is 84040-73-3.
What is the molecular formula of Benz(a)anthracene-1,2-diol, 1,2-diacetate?
The molecular formula of Benz(a)anthracene-1,2-diol, 1,2-diacetate is C22H16O4.
What is the molecular weight of Benz(a)anthracene-1,2-diol, 1,2-diacetate?
The molecular weight of Benz(a)anthracene-1,2-diol, 1,2-diacetate is 344.10 g/mol.
Where can I buy Benz(a)anthracene-1,2-diol, 1,2-diacetate?
You can request a quote for Benz(a)anthracene-1,2-diol, 1,2-diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benz(a)anthracene-1,2-diol, 1,2-diacetate?
Yes, KEHONG BIO provides custom synthesis services for Benz(a)anthracene-1,2-diol, 1,2-diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.