CAS RN: 1923836-34-3
(R)-2-((1s,4S)-4-(6-fluoroquinolin-4-yl)cyclohexyl)propanoic acid
- Product code: SSC-090029
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g
- Available purity: >95%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
1923836-34-3 / (2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoic acid
Basic Information
CAS
1923836-34-3
Multi CAS
No
Molecular Formula
C18H20FNO2
Molecular Weight
301.400000
Exact Mass
301.147807
SMILES
C[C@H](C1CCC(CC1)C2=C3C=C(C=CC3=NC=C2)F)C(=O)O
InChI
InChI=1S/C18H20FNO2/c1-11(18(21)22)12-2-4-13(5-3-12)15-8-9-20-17-7-6-14(19)10-16(15)17/h6-13H,2-5H2,1H3,(H,21,22)/t11-,12?,13?/m1/s1
InChIKey
XDZXXZVCXUTECU-PNESKVBLSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
10
Fraction Csp3
0.44
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
83.2
TPSA
50.19
LogP / Solubility
WLOGP
4.37
MLOGP
3.86
XLogP3
4.6
Consensus LogP
4.28
Log S (ESOL)
-4.6
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.19
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.6
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.46
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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