CAS RN: 1260010-66-9
7-CHLORO-6-FLUORO-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.20260530 | 50mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1260010-66-9
- Purity/Analytical Methods: >99.0%
1260010-66-9 / 7-chloro-6-fluoro-3,4-dihydro-2H-naphthalen-1-one
Basic Information
CAS
1260010-66-9
Multi CAS
No
Molecular Formula
C10H8ClFO
Molecular Weight
198.620000
Exact Mass
198.024771
SMILES
C1CC2=CC(=C(C=C2C(=O)C1)Cl)F
InChI
InChI=1S/C10H8ClFO/c11-8-5-7-6(4-9(8)12)2-1-3-10(7)13/h4-5H,1-3H2
InChIKey
VPHGZGQWUYGBOJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
H-bond acceptors
1
Molar refractivity
48.68
TPSA
17.07
LogP / Solubility
WLOGP
3
MLOGP
2.64
XLogP3
2.8
Consensus LogP
2.81
Log S (ESOL)
-3.3
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.35
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.44
Class (SILICOS-IT)
Poorly 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)
-1.8
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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