Benz(a)anthracene-3,4-diol, 6-fluoro-3,4-dihydro-7-(hydroxymethyl)-12-methyl-, trans-
TL;DR: Benz(a)anthracene-3,4-diol, 6-fluoro-3,4-dihydro-7-(hydroxymethyl)-12-methyl-, trans- (CAS 80752-21-2) is a chemical compound with molecular formula C20H17FO3 and molecular weight 324.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,4S)-6-fluoro-7-(hydroxymethyl)-12-methyl-3,4-dihydrobenzo[a]anthracene-3,4-diol
Also Known As: Benz(a)anthracene-3,4-diol, 6-fluoro-3,4-dihydro-7-(hydroxymethyl)-12-methyl-, trans-, (3s,4s)-6-fluoro-7-(hydroxymethyl)-12-methyl-3,4-dihydrotetraphene-3,4-diol, (3S,4S)-6-fluoro-7-(hydroxymethyl)-12-methyl-3,4-dihydrobenzo[a]anthracene-3,4-diol
| Molecular Formula | C20H17FO3 |
|---|---|
| Molecular Weight | 324.12 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 324.11618 |
| Heavy Atoms | 24 |
| Complexity | 495.0 |
Chemical Identifiers
| CAS Number | 80752-21-2 |
|---|---|
| SMILES | CC1=C2C3=C(C=C(C2=C(C4=CC=CC=C14)CO)F)[C@@H]([C@H](C=C3)O)O |
| InChIKey | LAKVOMYLAGQYPS-PXNSSMCTSA-N |
Product Overview
Benz(a)anthracene-3,4-diol, 6-fluoro-3,4-dihydro-7-(hydroxymethyl)-12-methyl-, trans- (CAS 80752-21-2), with molecular formula C20H17FO3 and molecular weight 324.12 g/mol. IUPAC: (3S,4S)-6-fluoro-7-(hydroxymethyl)-12-methyl-3,4-dihydrobenzo[a]anthracene-3,4-diol.
Chemical Property Profile of Benz(a)anthracene-3,4-diol, 6-fluoro-3,4-dihydro-7-(hydroxymethyl)-12-methyl-, trans-
Property Insights of Benz(a)anthracene-3,4-diol, 6-fluoro-3,4-dihydro-7-(hydroxymethyl)-12-methyl-, trans-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benz(a)anthracene-3,4-diol, 6-fluoro-3,4-dihydro-7-(hydroxymethyl)-12-methyl-, trans-. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Benz(a)anthracene-3,4-diol, 6-fluoro-3,4-dihydro-7-(hydroxymethyl)-12-methyl-, trans-. Following Lipinski's Rule of Five, Benz(a)anthracene-3,4-diol, 6-fluoro-3,4-dihydro-7-(hydroxymethyl)-12-methyl-, trans- has 3 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 Benz(a)anthracene-3,4-diol, 6-fluoro-3,4-dihydro-7-(hydroxymethyl)-12-methyl-, trans-?
The CAS number of Benz(a)anthracene-3,4-diol, 6-fluoro-3,4-dihydro-7-(hydroxymethyl)-12-methyl-, trans- is 80752-21-2.
What is the molecular formula of Benz(a)anthracene-3,4-diol, 6-fluoro-3,4-dihydro-7-(hydroxymethyl)-12-methyl-, trans-?
The molecular formula of Benz(a)anthracene-3,4-diol, 6-fluoro-3,4-dihydro-7-(hydroxymethyl)-12-methyl-, trans- is C20H17FO3.
What is the molecular weight of Benz(a)anthracene-3,4-diol, 6-fluoro-3,4-dihydro-7-(hydroxymethyl)-12-methyl-, trans-?
The molecular weight of Benz(a)anthracene-3,4-diol, 6-fluoro-3,4-dihydro-7-(hydroxymethyl)-12-methyl-, trans- is 324.12 g/mol.
Where can I buy Benz(a)anthracene-3,4-diol, 6-fluoro-3,4-dihydro-7-(hydroxymethyl)-12-methyl-, trans-?
You can request a quote for Benz(a)anthracene-3,4-diol, 6-fluoro-3,4-dihydro-7-(hydroxymethyl)-12-methyl-, trans- 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, 6-fluoro-3,4-dihydro-7-(hydroxymethyl)-12-methyl-, trans-?
Yes, KEHONG BIO provides custom synthesis services for Benz(a)anthracene-3,4-diol, 6-fluoro-3,4-dihydro-7-(hydroxymethyl)-12-methyl-, trans- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.