Benz(a)anthracene-7,12-dimethanol, 7-fluoro-
TL;DR: Benz(a)anthracene-7,12-dimethanol, 7-fluoro- (CAS 78971-87-6) is a chemical compound with molecular formula C20H15FO2 and molecular weight 306.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-fluoro-12-(hydroxymethyl)benzo[a]anthracen-7-yl]methanol
Also Known As: Benz(a)anthracene-7,12-dimethanol, 7-fluoro-, (3-fluorotetraphene-7,12-diyl)dimethanol, [3-fluoro-12-(hydroxymethyl)benzo[a]anthracen-7-yl]methanol
| Molecular Formula | C20H15FO2 |
|---|---|
| Molecular Weight | 306.11 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 306.10562 |
| Heavy Atoms | 23 |
| Complexity | 414.0 |
Chemical Identifiers
| CAS Number | 78971-87-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C3C=CC4=C(C3=C2CO)C=CC(=C4)F)CO |
| InChIKey | JIJRMSVQWIUMIB-UHFFFAOYSA-N |
Product Overview
Benz(a)anthracene-7,12-dimethanol, 7-fluoro- (CAS 78971-87-6), with molecular formula C20H15FO2 and molecular weight 306.11 g/mol. IUPAC: [3-fluoro-12-(hydroxymethyl)benzo[a]anthracen-7-yl]methanol.
Chemical Property Profile of Benz(a)anthracene-7,12-dimethanol, 7-fluoro-
Property Insights of Benz(a)anthracene-7,12-dimethanol, 7-fluoro-
The XLogP value of 4.0 indicates that Benz(a)anthracene-7,12-dimethanol, 7-fluoro- 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-7,12-dimethanol, 7-fluoro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benz(a)anthracene-7,12-dimethanol, 7-fluoro- has 2 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-7,12-dimethanol, 7-fluoro-?
The CAS number of Benz(a)anthracene-7,12-dimethanol, 7-fluoro- is 78971-87-6.
What is the molecular formula of Benz(a)anthracene-7,12-dimethanol, 7-fluoro-?
The molecular formula of Benz(a)anthracene-7,12-dimethanol, 7-fluoro- is C20H15FO2.
What is the molecular weight of Benz(a)anthracene-7,12-dimethanol, 7-fluoro-?
The molecular weight of Benz(a)anthracene-7,12-dimethanol, 7-fluoro- is 306.11 g/mol.
Where can I buy Benz(a)anthracene-7,12-dimethanol, 7-fluoro-?
You can request a quote for Benz(a)anthracene-7,12-dimethanol, 7-fluoro- 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-7,12-dimethanol, 7-fluoro-?
Yes, KEHONG BIO provides custom synthesis services for Benz(a)anthracene-7,12-dimethanol, 7-fluoro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.