Benz(a)anthracene-9,10-dimethanol
TL;DR: Benz(a)anthracene-9,10-dimethanol (CAS 64398-54-5) 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.
[10-(hydroxymethyl)benzo[a]anthracen-9-yl]methanol
Also Known As: Benz(a)anthracene-9,10-dimethanol, tetraphene-9,10-diyldimethanol, (Tetraphene-9,10-diyl)dimethanol, Benz[a]anthacene-9,10-dimethanol, Benz[a]anthracene-9,10-dimethanol
| Molecular Formula | C20H16O2 |
|---|---|
| Molecular Weight | 288.12 g/mol |
| LogP | 3.9 |
| 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 | 64398-54-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC3=CC4=CC(=C(C=C4C=C32)CO)CO |
| InChIKey | UKOUDMLYIMUAMH-UHFFFAOYSA-N |
Product Overview
Benz(a)anthracene-9,10-dimethanol (CAS 64398-54-5), with molecular formula C20H16O2 and molecular weight 288.12 g/mol. IUPAC: [10-(hydroxymethyl)benzo[a]anthracen-9-yl]methanol.
Chemical Property Profile of Benz(a)anthracene-9,10-dimethanol
Property Insights of Benz(a)anthracene-9,10-dimethanol
The XLogP value of 3.9 indicates that Benz(a)anthracene-9,10-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-9,10-dimethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benz(a)anthracene-9,10-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-9,10-dimethanol?
The CAS number of Benz(a)anthracene-9,10-dimethanol is 64398-54-5.
What is the molecular formula of Benz(a)anthracene-9,10-dimethanol?
The molecular formula of Benz(a)anthracene-9,10-dimethanol is C20H16O2.
What is the molecular weight of Benz(a)anthracene-9,10-dimethanol?
The molecular weight of Benz(a)anthracene-9,10-dimethanol is 288.12 g/mol.
Where can I buy Benz(a)anthracene-9,10-dimethanol?
You can request a quote for Benz(a)anthracene-9,10-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-9,10-dimethanol?
Yes, KEHONG BIO provides custom synthesis services for Benz(a)anthracene-9,10-dimethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.