(E)-3,4-Dihydroxy-3,4-dihydrobenz(a)anthracene-7,12-dimethanol
TL;DR: (E)-3,4-Dihydroxy-3,4-dihydrobenz(a)anthracene-7,12-dimethanol (CAS 69260-85-1) is a chemical compound with molecular formula C20H18O4 and molecular weight 322.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,4R)-7,12-bis(hydroxymethyl)-3,4-dihydrobenzo[a]anthracene-3,4-diol
Also Known As: (E)-3,4-Dihydroxy-3,4-dihydrobenz(a)anthracene-7,12-dimethanol, trans-3,4-Dihydroxy-3,4-dihydro-7,12-dihydroxymethylbenz(a)anthracene, (3R,4R)-7,12-bis(hydroxymethyl)-3,4-dihydrobenzo[a]anthracene-3,4-diol, BENZ(a)ANTHRACENE-7,12-DIMETHANOL, 3,4-DIHYDRO-3,4-DIHYDROXY-, (E)-, 7,12-Bis(hydroxymethyl)-3,4-dihydrotetraphene-3,4-diol
| Molecular Formula | C20H18O4 |
|---|---|
| Molecular Weight | 322.12 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 322.1205 |
| Heavy Atoms | 24 |
| Complexity | 478.0 |
Chemical Identifiers
| CAS Number | 69260-85-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C3C=CC4=C(C3=C2CO)C=C[C@H]([C@@H]4O)O)CO |
| InChIKey | MSEPVWJAXDXICK-UYAOXDASSA-N |
Product Overview
(E)-3,4-Dihydroxy-3,4-dihydrobenz(a)anthracene-7,12-dimethanol (CAS 69260-85-1), with molecular formula C20H18O4 and molecular weight 322.12 g/mol. IUPAC: (3R,4R)-7,12-bis(hydroxymethyl)-3,4-dihydrobenzo[a]anthracene-3,4-diol.
Chemical Property Profile of (E)-3,4-Dihydroxy-3,4-dihydrobenz(a)anthracene-7,12-dimethanol
Property Insights of (E)-3,4-Dihydroxy-3,4-dihydrobenz(a)anthracene-7,12-dimethanol
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-3,4-Dihydroxy-3,4-dihydrobenz(a)anthracene-7,12-dimethanol. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3,4-Dihydroxy-3,4-dihydrobenz(a)anthracene-7,12-dimethanol. Following Lipinski's Rule of Five, (E)-3,4-Dihydroxy-3,4-dihydrobenz(a)anthracene-7,12-dimethanol 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 (E)-3,4-Dihydroxy-3,4-dihydrobenz(a)anthracene-7,12-dimethanol?
The CAS number of (E)-3,4-Dihydroxy-3,4-dihydrobenz(a)anthracene-7,12-dimethanol is 69260-85-1.
What is the molecular formula of (E)-3,4-Dihydroxy-3,4-dihydrobenz(a)anthracene-7,12-dimethanol?
The molecular formula of (E)-3,4-Dihydroxy-3,4-dihydrobenz(a)anthracene-7,12-dimethanol is C20H18O4.
What is the molecular weight of (E)-3,4-Dihydroxy-3,4-dihydrobenz(a)anthracene-7,12-dimethanol?
The molecular weight of (E)-3,4-Dihydroxy-3,4-dihydrobenz(a)anthracene-7,12-dimethanol is 322.12 g/mol.
Where can I buy (E)-3,4-Dihydroxy-3,4-dihydrobenz(a)anthracene-7,12-dimethanol?
You can request a quote for (E)-3,4-Dihydroxy-3,4-dihydrobenz(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 (E)-3,4-Dihydroxy-3,4-dihydrobenz(a)anthracene-7,12-dimethanol?
Yes, KEHONG BIO provides custom synthesis services for (E)-3,4-Dihydroxy-3,4-dihydrobenz(a)anthracene-7,12-dimethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.