CAS RN: 1796641-10-5
Parimifasor
Product Availability
Choose a grade to view its available package options.
7 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250719 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250210 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250605 | 1mg / 5mg / 10mg | Confirm by inquiry | Shanghai | Inquiry |
| Batchno.20250315 | 250mg | Out of stock | Inquiry | |
| Batchno.20250906 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20250920 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20260116 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1796641-10-5
- Purity/Analytical Methods: >99.0%
1796641-10-5 / 3-chloro-N-[N-(3-chloro-5-fluorophenyl)-N'-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamimidoyl]benzamide
Basic Information
CAS
1796641-10-5
Multi CAS
No
Molecular Formula
C18H11Cl2F4N5O
Molecular Weight
460.200000
Exact Mass
459.027678
SMILES
C1=CC(=CC(=C1)Cl)C(=O)NC(=NC2=NNC(=C2)C(F)(F)F)NC3=CC(=CC(=C3)Cl)F
InChI
InChI=1S/C18H11Cl2F4N5O/c19-10-3-1-2-9(4-10)16(30)27-17(25-13-6-11(20)5-12(21)7-13)26-15-8-14(28-29-15)18(22,23)24/h1-8H,(H3,25,26,27,28,29,30)
InChIKey
GPLAWHGEODGIAW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
17
Fraction Csp3
0.06
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
104.64
TPSA
82.17
LogP / Solubility
WLOGP
5.4
MLOGP
4.79
XLogP3
5.7
Consensus LogP
5.3
Log S (ESOL)
-6.32
Class (ESOL)
Insoluble
Log S (Ali)
-7.24
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.5
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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