CAS RN: 1338247-30-5
N-(5-(1-(2,6-dichlorophenyl)-3-(difluoroMethyl)-1H-pyrazol-5-yl)thiazol-2-yl)cyclopropanecarboxaMide
Product Availability
Choose a grade to view its available package options.
10 package records6 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250318 | 5mg / 10mg / 50mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1338247-30-5
- Purity/Analytical Methods: >99.0%
1338247-30-5 / N-[5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
Basic Information
CAS
1338247-30-5
Multi CAS
No
Molecular Formula
C17H12Cl2F2N4OS
Molecular Weight
429.300000
Exact Mass
428.007694
SMILES
C1CC1C(=O)NC2=NC=C(S2)C3=CC(=NN3C4=C(C=CC=C4Cl)Cl)C(F)F
InChI
InChI=1S/C17H12Cl2F2N4OS/c18-9-2-1-3-10(19)14(9)25-12(6-11(24-25)15(20)21)13-7-22-17(27-13)23-16(26)8-4-5-8/h1-3,6-8,15H,4-5H2,(H,22,23,26)
InChIKey
YBGGBHCJSAEIAS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
16
Fraction Csp3
0.24
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
1
Molar refractivity
101
TPSA
59.81
LogP / Solubility
WLOGP
5.59
MLOGP
4.95
XLogP3
4.5
Consensus LogP
5.01
Log S (ESOL)
-6.13
Class (ESOL)
Insoluble
Log S (Ali)
-7.12
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.69
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.37
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P264, P270, P273, P301+P317, P330, and P501
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