CAS RN: 1237745-83-3
4,8-Dichloro-2-(4-cyclopropyl-1,3-thiazol-2-yl)-7-methoxyquinoline
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.20260504 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: LIND929595
1237745-83-3 / 4-cyclopropyl-2-(4,8-dichloro-7-methoxyquinolin-2-yl)-1,3-thiazole
Basic Information
CAS
1237745-83-3
Multi CAS
No
Molecular Formula
C16H12Cl2N2OS
Molecular Weight
351.200000
Exact Mass
350.004740
SMILES
COC1=C(C2=C(C=C1)C(=CC(=N2)C3=NC(=CS3)C4CC4)Cl)Cl
InChI
InChI=1S/C16H12Cl2N2OS/c1-21-13-5-4-9-10(17)6-11(19-15(9)14(13)18)16-20-12(7-22-16)8-2-3-8/h4-8H,2-3H2,1H3
InChIKey
BYVQXTYOISYCKD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
15
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
91.4
TPSA
35.01
LogP / Solubility
WLOGP
5.55
MLOGP
4.9
XLogP3
4.7
Consensus LogP
5.05
Log S (ESOL)
-5.82
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.45
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.91
Class (SILICOS-IT)
Insoluble
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
Yes
Log Kp (skin permeation)
-0.92
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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