7,12-Dihydroxymethylbenz(a)anthracene-3,4-diol
TL;DR: 7,12-Dihydroxymethylbenz(a)anthracene-3,4-diol (CAS 78776-38-2) is a chemical compound with molecular formula C20H16O4 and molecular weight 320.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7,12-bis(hydroxymethyl)benzo[a]anthracene-3,4-diol
Also Known As: 7,12-Dihydroxymethylbenz(a)anthracene-3,4-diol, 3,4-Dihydroxybenz(a)anthracene-7,12-dimethanol, 7,12-bis(hydroxymethyl)tetraphene-3,4-diol, BENZ(a)ANTHRACENE-7,12-DIMETHANOL, 3,4-DIHYDROXY-, 3,4-Dihydroxybenz[a]anthracene-7,12-dimethanol
| Molecular Formula | C20H16O4 |
|---|---|
| Molecular Weight | 320.10 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 320.10486 |
| Heavy Atoms | 24 |
| Complexity | 441.0 |
Chemical Identifiers
| CAS Number | 78776-38-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C3C=CC4=C(C3=C2CO)C=CC(=C4O)O)CO |
| InChIKey | GIFKXVYVTYJSRN-UHFFFAOYSA-N |
Product Overview
7,12-Dihydroxymethylbenz(a)anthracene-3,4-diol (CAS 78776-38-2), with molecular formula C20H16O4 and molecular weight 320.10 g/mol. IUPAC: 7,12-bis(hydroxymethyl)benzo[a]anthracene-3,4-diol.
Chemical Property Profile of 7,12-Dihydroxymethylbenz(a)anthracene-3,4-diol
Property Insights of 7,12-Dihydroxymethylbenz(a)anthracene-3,4-diol
The XLogP value of 3.2 indicates that 7,12-Dihydroxymethylbenz(a)anthracene-3,4-diol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 7,12-Dihydroxymethylbenz(a)anthracene-3,4-diol. Following Lipinski's Rule of Five, 7,12-Dihydroxymethylbenz(a)anthracene-3,4-diol has 4 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 7,12-Dihydroxymethylbenz(a)anthracene-3,4-diol?
The CAS number of 7,12-Dihydroxymethylbenz(a)anthracene-3,4-diol is 78776-38-2.
What is the molecular formula of 7,12-Dihydroxymethylbenz(a)anthracene-3,4-diol?
The molecular formula of 7,12-Dihydroxymethylbenz(a)anthracene-3,4-diol is C20H16O4.
What is the molecular weight of 7,12-Dihydroxymethylbenz(a)anthracene-3,4-diol?
The molecular weight of 7,12-Dihydroxymethylbenz(a)anthracene-3,4-diol is 320.10 g/mol.
Where can I buy 7,12-Dihydroxymethylbenz(a)anthracene-3,4-diol?
You can request a quote for 7,12-Dihydroxymethylbenz(a)anthracene-3,4-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7,12-Dihydroxymethylbenz(a)anthracene-3,4-diol?
Yes, KEHONG BIO provides custom synthesis services for 7,12-Dihydroxymethylbenz(a)anthracene-3,4-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.