CAS RN: 1273596-37-4
8-FLUORO-6-METHOXY-1,2,3,4-TETRAHYDRONAPHTHALEN-1-ONE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250703 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1273596-37-4
- Purity/Analytical Methods: >99.0%
1273596-37-4 / 8-fluoro-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
Basic Information
CAS
1273596-37-4
Multi CAS
No
Molecular Formula
C11H11FO2
Molecular Weight
194.200000
Exact Mass
194.074308
SMILES
COC1=CC2=C(C(=O)CCC2)C(=C1)F
InChI
InChI=1S/C11H11FO2/c1-14-8-5-7-3-2-4-10(13)11(7)9(12)6-8/h5-6H,2-4H2,1H3
InChIKey
KWFNZGGLUHRUAT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
50.22
TPSA
26.3
LogP / Solubility
WLOGP
2.35
MLOGP
2.07
XLogP3
2.1
Consensus LogP
2.17
Log S (ESOL)
-2.78
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.85
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.23
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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