CAS RN: 1923836-20-7
2-(4-(6-fluoroquinolin-4-yl)cyclohexyl)acetic acid
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.20250206 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1923836-20-7
- Purity/Analytical Methods: >99.0%
1923836-20-7 / 2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]acetic acid
Basic Information
CAS
1923836-20-7
Multi CAS
No
Molecular Formula
C17H18FNO2
Molecular Weight
287.330000
Exact Mass
287.132157
SMILES
C1CC(CCC1CC(=O)O)C2=C3C=C(C=CC3=NC=C2)F
InChI
InChI=1S/C17H18FNO2/c18-13-5-6-16-15(10-13)14(7-8-19-16)12-3-1-11(2-4-12)9-17(20)21/h5-8,10-12H,1-4,9H2,(H,20,21)
InChIKey
GIPGFZGEPQMULK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
10
Fraction Csp3
0.41
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
78.65
TPSA
50.19
LogP / Solubility
WLOGP
4.12
MLOGP
3.64
XLogP3
4
Consensus LogP
3.92
Log S (ESOL)
-4.37
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.89
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.31
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)
-1.55
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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