Benz(a)anthracene-12-methanol, 3-fluoro-7-methyl-
TL;DR: Benz(a)anthracene-12-methanol, 3-fluoro-7-methyl- (CAS 78971-91-2) is a chemical compound with molecular formula C20H15FO and molecular weight 290.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-fluoro-7-methylbenzo[a]anthracen-12-yl)methanol
Also Known As: Benz(a)anthracene-12-methanol, 3-fluoro-7-methyl-, (3-fluoro-7-methyltetraphen-12-yl)methanol, N-22, (3-fluoro-7-methylbenzo[a]anthracen-12-yl)methanol, (3-Fluoro-7-methylbenzo(b)phenanthren-12-yl)methanol
| Molecular Formula | C20H15FO |
|---|---|
| Molecular Weight | 290.11 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 290.1107 |
| Heavy Atoms | 22 |
| Complexity | 397.0 |
Chemical Identifiers
| CAS Number | 78971-91-2 |
|---|---|
| SMILES | CC1=C2C=CC3=C(C2=C(C4=CC=CC=C14)CO)C=CC(=C3)F |
| InChIKey | JJDLCDKDOQHEGJ-UHFFFAOYSA-N |
Product Overview
Benz(a)anthracene-12-methanol, 3-fluoro-7-methyl- (CAS 78971-91-2), with molecular formula C20H15FO and molecular weight 290.11 g/mol. IUPAC: (3-fluoro-7-methylbenzo[a]anthracen-12-yl)methanol.
Chemical Property Profile of Benz(a)anthracene-12-methanol, 3-fluoro-7-methyl-
Property Insights of Benz(a)anthracene-12-methanol, 3-fluoro-7-methyl-
The XLogP value of 4.7 indicates that Benz(a)anthracene-12-methanol, 3-fluoro-7-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, Benz(a)anthracene-12-methanol, 3-fluoro-7-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benz(a)anthracene-12-methanol, 3-fluoro-7-methyl- has 1 hydrogen bond donor(s) and 2 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-12-methanol, 3-fluoro-7-methyl-?
The CAS number of Benz(a)anthracene-12-methanol, 3-fluoro-7-methyl- is 78971-91-2.
What is the molecular formula of Benz(a)anthracene-12-methanol, 3-fluoro-7-methyl-?
The molecular formula of Benz(a)anthracene-12-methanol, 3-fluoro-7-methyl- is C20H15FO.
What is the molecular weight of Benz(a)anthracene-12-methanol, 3-fluoro-7-methyl-?
The molecular weight of Benz(a)anthracene-12-methanol, 3-fluoro-7-methyl- is 290.11 g/mol.
Where can I buy Benz(a)anthracene-12-methanol, 3-fluoro-7-methyl-?
You can request a quote for Benz(a)anthracene-12-methanol, 3-fluoro-7-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-12-methanol, 3-fluoro-7-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Benz(a)anthracene-12-methanol, 3-fluoro-7-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.