Benz(a)anthracene-7,12-dimethanol, diacetate
TL;DR: Benz(a)anthracene-7,12-dimethanol, diacetate (CAS 63018-62-2) is a chemical compound with molecular formula C24H20O4 and molecular weight 372.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[12-(acetyloxymethyl)benzo[a]anthracen-7-yl]methyl acetate
Also Known As: Benz(a)anthracene-7,12-dimethanol, diacetate, 9,10-Bisacetoxymethyl-1,2-benzanthracene, Benz[a]anthracene-7,12-dimethanol=diacetate, Benz[a]anthracene-7,12-dimethanol, diacetate, Benz(a)anthracene-7,12-dimethyl diacetate
| Molecular Formula | C24H20O4 |
|---|---|
| Molecular Weight | 372.14 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 372.13617 |
| Heavy Atoms | 28 |
| Complexity | 573.0 |
Chemical Identifiers
| CAS Number | 63018-62-2 |
|---|---|
| SMILES | CC(=O)OCC1=C2C=CC3=CC=CC=C3C2=C(C4=CC=CC=C41)COC(=O)C |
| InChIKey | XHCONXDVEAQFIQ-UHFFFAOYSA-N |
Product Overview
Benz(a)anthracene-7,12-dimethanol, diacetate (CAS 63018-62-2), with molecular formula C24H20O4 and molecular weight 372.14 g/mol. IUPAC: [12-(acetyloxymethyl)benzo[a]anthracen-7-yl]methyl acetate.
Chemical Property Profile of Benz(a)anthracene-7,12-dimethanol, diacetate
Property Insights of Benz(a)anthracene-7,12-dimethanol, diacetate
The XLogP value of 4.4 indicates that Benz(a)anthracene-7,12-dimethanol, 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-7,12-dimethanol, diacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benz(a)anthracene-7,12-dimethanol, 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 Benz(a)anthracene-7,12-dimethanol, diacetate?
The CAS number of Benz(a)anthracene-7,12-dimethanol, diacetate is 63018-62-2.
What is the molecular formula of Benz(a)anthracene-7,12-dimethanol, diacetate?
The molecular formula of Benz(a)anthracene-7,12-dimethanol, diacetate is C24H20O4.
What is the molecular weight of Benz(a)anthracene-7,12-dimethanol, diacetate?
The molecular weight of Benz(a)anthracene-7,12-dimethanol, diacetate is 372.14 g/mol.
Where can I buy Benz(a)anthracene-7,12-dimethanol, diacetate?
You can request a quote for Benz(a)anthracene-7,12-dimethanol, 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-7,12-dimethanol, diacetate?
Yes, KEHONG BIO provides custom synthesis services for Benz(a)anthracene-7,12-dimethanol, diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.