CAS RN: 1904651-39-3
Quinoline, 7-(difluoromethyl)-1,2,3,4-tetrahydro-6-(1-methyl-1H-pyrazol-4-yl)-
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260222 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-089186
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.
1904651-39-3 / 7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline
Basic Information
CAS
1904651-39-3
Multi CAS
No
Molecular Formula
C14H15F2N3
Molecular Weight
263.290000
Exact Mass
263.123404
SMILES
CN1C=C(C=N1)C2=C(C=C3C(=C2)CCCN3)C(F)F
InChI
InChI=1S/C14H15F2N3/c1-19-8-10(7-18-19)11-5-9-3-2-4-17-13(9)6-12(11)14(15)16/h5-8,14,17H,2-4H2,1H3
InChIKey
SAQRNRAEHFGOFK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
11
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
70.41
TPSA
29.85
LogP / Solubility
WLOGP
3.38
MLOGP
2.98
XLogP3
2.9
Consensus LogP
3.09
Log S (ESOL)
-3.9
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.16
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.42
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.92
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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