Benz(a)anthracen-12(1H)-one, 6-Fluoro-1,2,3,4-tetrahydro-
TL;DR: Benz(a)anthracen-12(1H)-one, 6-Fluoro-1,2,3,4-tetrahydro- (CAS 114591-53-6) is a chemical compound with molecular formula C18H15FO and molecular weight 266.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-fluoro-2,3,4,7-tetrahydro-1H-benzo[a]anthracen-12-one
Also Known As: 6-fluoro-2,3,4,7-tetrahydrotetraphen-12(1h)-one, Benz(a)anthracen-12(1H)-one, 6-Fluoro-1,2,3,4-tetrahydro-, 6-fluoro-2,3,4,7-tetrahydro-1H-benzo[a]anthracen-12-one
| Molecular Formula | C18H15FO |
|---|---|
| Molecular Weight | 266.11 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 266.1107 |
| Heavy Atoms | 20 |
| Complexity | 393.0 |
Chemical Identifiers
| CAS Number | 114591-53-6 |
|---|---|
| SMILES | C1CCC2=C3C(=C(C=C2C1)F)CC4=CC=CC=C4C3=O |
| InChIKey | NVECMZIHGMRIKL-UHFFFAOYSA-N |
Product Overview
Benz(a)anthracen-12(1H)-one, 6-Fluoro-1,2,3,4-tetrahydro- (CAS 114591-53-6), with molecular formula C18H15FO and molecular weight 266.11 g/mol. IUPAC: 6-fluoro-2,3,4,7-tetrahydro-1H-benzo[a]anthracen-12-one.
Chemical Property Profile of Benz(a)anthracen-12(1H)-one, 6-Fluoro-1,2,3,4-tetrahydro-
Property Insights of Benz(a)anthracen-12(1H)-one, 6-Fluoro-1,2,3,4-tetrahydro-
The XLogP value of 4.8 indicates that Benz(a)anthracen-12(1H)-one, 6-Fluoro-1,2,3,4-tetrahydro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, Benz(a)anthracen-12(1H)-one, 6-Fluoro-1,2,3,4-tetrahydro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benz(a)anthracen-12(1H)-one, 6-Fluoro-1,2,3,4-tetrahydro- has 0 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)anthracen-12(1H)-one, 6-Fluoro-1,2,3,4-tetrahydro-?
The CAS number of Benz(a)anthracen-12(1H)-one, 6-Fluoro-1,2,3,4-tetrahydro- is 114591-53-6.
What is the molecular formula of Benz(a)anthracen-12(1H)-one, 6-Fluoro-1,2,3,4-tetrahydro-?
The molecular formula of Benz(a)anthracen-12(1H)-one, 6-Fluoro-1,2,3,4-tetrahydro- is C18H15FO.
What is the molecular weight of Benz(a)anthracen-12(1H)-one, 6-Fluoro-1,2,3,4-tetrahydro-?
The molecular weight of Benz(a)anthracen-12(1H)-one, 6-Fluoro-1,2,3,4-tetrahydro- is 266.11 g/mol.
Where can I buy Benz(a)anthracen-12(1H)-one, 6-Fluoro-1,2,3,4-tetrahydro-?
You can request a quote for Benz(a)anthracen-12(1H)-one, 6-Fluoro-1,2,3,4-tetrahydro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benz(a)anthracen-12(1H)-one, 6-Fluoro-1,2,3,4-tetrahydro-?
Yes, KEHONG BIO provides custom synthesis services for Benz(a)anthracen-12(1H)-one, 6-Fluoro-1,2,3,4-tetrahydro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.