Benz(a)anthracene-3,4-diol, 3,4-dihydro-7-(hydroxymethyl)-12-methyl-
TL;DR: Benz(a)anthracene-3,4-diol, 3,4-dihydro-7-(hydroxymethyl)-12-methyl- (CAS 69260-84-0) is a chemical compound with molecular formula C20H18O3 and molecular weight 306.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,4R)-7-(hydroxymethyl)-12-methyl-3,4-dihydrobenzo[a]anthracene-3,4-diol
Also Known As: trans-7-Hydroxymethyl-12-methylbenz(a)anthracene-3,4-dihydrodiol, Benz(a)anthracene-3,4-diol, 3,4-dihydro-7-(hydroxymethyl)-12-methyl-, (E)-3,4-Dihydroxy-12-methyl-3,4-dihydrobenz(a)anthracene-7-methanol, trans-3,4-Dihydroxy-3,4-dihydro-7-hydroxymethyl-12-methylbenz(a)anthracene, (3R,4R)-7-(hydroxymethyl)-12-methyl-3,4-dihydrotetraphene-3,4-diol
| Molecular Formula | C20H18O3 |
|---|---|
| Molecular Weight | 306.13 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 306.12558 |
| Heavy Atoms | 23 |
| Complexity | 462.0 |
Chemical Identifiers
| CAS Number | 69260-84-0 |
|---|---|
| SMILES | CC1=C2C3=C(C=CC2=C(C4=CC=CC=C14)CO)[C@H]([C@@H](C=C3)O)O |
| InChIKey | LXAPGYIZFBDBIB-UYAOXDASSA-N |
Product Overview
Benz(a)anthracene-3,4-diol, 3,4-dihydro-7-(hydroxymethyl)-12-methyl- (CAS 69260-84-0), with molecular formula C20H18O3 and molecular weight 306.13 g/mol. IUPAC: (3R,4R)-7-(hydroxymethyl)-12-methyl-3,4-dihydrobenzo[a]anthracene-3,4-diol.
Chemical Property Profile of Benz(a)anthracene-3,4-diol, 3,4-dihydro-7-(hydroxymethyl)-12-methyl-
Property Insights of Benz(a)anthracene-3,4-diol, 3,4-dihydro-7-(hydroxymethyl)-12-methyl-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benz(a)anthracene-3,4-diol, 3,4-dihydro-7-(hydroxymethyl)-12-methyl-. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Benz(a)anthracene-3,4-diol, 3,4-dihydro-7-(hydroxymethyl)-12-methyl-. Following Lipinski's Rule of Five, Benz(a)anthracene-3,4-diol, 3,4-dihydro-7-(hydroxymethyl)-12-methyl- has 3 hydrogen bond donor(s) and 3 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-3,4-diol, 3,4-dihydro-7-(hydroxymethyl)-12-methyl-?
The CAS number of Benz(a)anthracene-3,4-diol, 3,4-dihydro-7-(hydroxymethyl)-12-methyl- is 69260-84-0.
What is the molecular formula of Benz(a)anthracene-3,4-diol, 3,4-dihydro-7-(hydroxymethyl)-12-methyl-?
The molecular formula of Benz(a)anthracene-3,4-diol, 3,4-dihydro-7-(hydroxymethyl)-12-methyl- is C20H18O3.
What is the molecular weight of Benz(a)anthracene-3,4-diol, 3,4-dihydro-7-(hydroxymethyl)-12-methyl-?
The molecular weight of Benz(a)anthracene-3,4-diol, 3,4-dihydro-7-(hydroxymethyl)-12-methyl- is 306.13 g/mol.
Where can I buy Benz(a)anthracene-3,4-diol, 3,4-dihydro-7-(hydroxymethyl)-12-methyl-?
You can request a quote for Benz(a)anthracene-3,4-diol, 3,4-dihydro-7-(hydroxymethyl)-12-methyl- 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-3,4-diol, 3,4-dihydro-7-(hydroxymethyl)-12-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Benz(a)anthracene-3,4-diol, 3,4-dihydro-7-(hydroxymethyl)-12-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.