Benz(a)anthracene-3,9-diol
TL;DR: Benz(a)anthracene-3,9-diol (CAS 56614-97-2) is a chemical compound with molecular formula C18H12O2 and molecular weight 260.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzo[a]anthracene-3,9-diol
Also Known As: 3,9-Dihydroxybenzanthracene, tetraphene-3,9-diol, Benz[a]anthracene-3,9-diol, Benzo[a]anthracene-3,9-diol, 3,9-Dihydroxybenz(a)anthracene
| Molecular Formula | C18H12O2 |
|---|---|
| Molecular Weight | 260.08 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 260.08374 |
| Heavy Atoms | 20 |
| Complexity | 355.0 |
Chemical Identifiers
| CAS Number | 56614-97-2 |
|---|---|
| SMILES | C1=CC2=C(C=CC(=C2)O)C3=CC4=C(C=C31)C=C(C=C4)O |
| InChIKey | CQTBIAMUVNXBKY-UHFFFAOYSA-N |
Product Overview
Benz(a)anthracene-3,9-diol (CAS 56614-97-2), with molecular formula C18H12O2 and molecular weight 260.08 g/mol. IUPAC: benzo[a]anthracene-3,9-diol.
Chemical Property Profile of Benz(a)anthracene-3,9-diol
Property Insights of Benz(a)anthracene-3,9-diol
The XLogP value of 5.0 indicates that Benz(a)anthracene-3,9-diol 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-3,9-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benz(a)anthracene-3,9-diol 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-3,9-diol?
The CAS number of Benz(a)anthracene-3,9-diol is 56614-97-2.
What is the molecular formula of Benz(a)anthracene-3,9-diol?
The molecular formula of Benz(a)anthracene-3,9-diol is C18H12O2.
What is the molecular weight of Benz(a)anthracene-3,9-diol?
The molecular weight of Benz(a)anthracene-3,9-diol is 260.08 g/mol.
Where can I buy Benz(a)anthracene-3,9-diol?
You can request a quote for Benz(a)anthracene-3,9-diol 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-3,9-diol?
Yes, KEHONG BIO provides custom synthesis services for Benz(a)anthracene-3,9-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.