CAS RN: 2153433-73-7
3-Quinolinemethanol, 2-cyclopropyl-4-phenyl-
- Product code: SSC-103198
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, 5g
- Available purity: ≥95%
- Inventory rows with stock: 4
- 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.
2153433-73-7 / (2-cyclopropyl-4-phenylquinolin-3-yl)methanol
Basic Information
CAS
2153433-73-7
Multi CAS
No
Molecular Formula
C19H17NO
Molecular Weight
275.300000
Exact Mass
275.131014
SMILES
C1CC1C2=NC3=CC=CC=C3C(=C2CO)C4=CC=CC=C4
InChI
InChI=1S/C19H17NO/c21-12-16-18(13-6-2-1-3-7-13)15-8-4-5-9-17(15)20-19(16)14-10-11-14/h1-9,14,21H,10-12H2
InChIKey
QEDVVHKQXJZJAB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
16
Fraction Csp3
0.21
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
85.08
TPSA
33.12
LogP / Solubility
WLOGP
4.27
MLOGP
3.77
XLogP3
3.5
Consensus LogP
3.85
Log S (ESOL)
-4.6
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.9
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.36
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)
-1.37
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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