CAS RN: 1234356-88-7
(R)-4-(2-Fluorophenyl)-3,4-dihydronaphthalen-1(2H)-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.20250121 | 25mg / 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1234356-88-7
- Purity/Analytical Methods: >99.0%
1234356-88-7 / (4R)-4-(2-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-one
Basic Information
CAS
1234356-88-7
Multi CAS
No
Molecular Formula
C16H13FO
Molecular Weight
240.270000
Exact Mass
240.095043
SMILES
C1CC(=O)C2=CC=CC=C2[C@@H]1C3=CC=CC=C3F
InChI
InChI=1S/C16H13FO/c17-15-8-4-3-6-13(15)12-9-10-16(18)14-7-2-1-5-11(12)14/h1-8,12H,9-10H2/t12-/m1/s1
InChIKey
UQEMVIDJUWWBHF-GFCCVEGCSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.19
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
68.25
TPSA
17.07
LogP / Solubility
WLOGP
3.93
MLOGP
3.47
XLogP3
3.6
Consensus LogP
3.67
Log S (ESOL)
-4.24
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.37
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.61
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.39
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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