Benz(a)anthracene-7,12-dimethanol
TL;DR: Benz(a)anthracene-7,12-dimethanol (CAS 2564-65-0) is a chemical compound with molecular formula C20H16O2 and molecular weight 288.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[12-(hydroxymethyl)benzo[a]anthracen-7-yl]methanol
Also Known As: 7,12-Dihydroxymethylbenz(a)anthracene, 7,12-Bis(hydroxymethyl)benz(a)anthracene, Benz[a]anthracene-7,12-dimethanol, BENZ(a)ANTHRACENE-7,12-DIMETHANOL, 9:10-Bishydroxymethyl-1:2-benzanthracene
| Molecular Formula | C20H16O2 |
|---|---|
| Molecular Weight | 288.12 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 288.11502 |
| Heavy Atoms | 22 |
| Complexity | 382.0 |
Chemical Identifiers
| CAS Number | 2564-65-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC3=C(C4=CC=CC=C4C(=C32)CO)CO |
| InChIKey | QFWRHTYGECMMSX-UHFFFAOYSA-N |
Product Overview
Benz(a)anthracene-7,12-dimethanol (CAS 2564-65-0), with molecular formula C20H16O2 and molecular weight 288.12 g/mol. IUPAC: [12-(hydroxymethyl)benzo[a]anthracen-7-yl]methanol.
Chemical Property Profile of Benz(a)anthracene-7,12-dimethanol
Property Insights of Benz(a)anthracene-7,12-dimethanol
The XLogP value of 3.3 indicates that Benz(a)anthracene-7,12-dimethanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, Benz(a)anthracene-7,12-dimethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benz(a)anthracene-7,12-dimethanol has 2 hydrogen bond donor(s) and 2 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?
The CAS number of Benz(a)anthracene-7,12-dimethanol is 2564-65-0.
What is the molecular formula of Benz(a)anthracene-7,12-dimethanol?
The molecular formula of Benz(a)anthracene-7,12-dimethanol is C20H16O2.
What is the molecular weight of Benz(a)anthracene-7,12-dimethanol?
The molecular weight of Benz(a)anthracene-7,12-dimethanol is 288.12 g/mol.
Where can I buy Benz(a)anthracene-7,12-dimethanol?
You can request a quote for Benz(a)anthracene-7,12-dimethanol 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?
Yes, KEHONG BIO provides custom synthesis services for Benz(a)anthracene-7,12-dimethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.