CAS RN: 614726-85-1
AM4113
Product Availability
Choose a grade to view its available package options.
6 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260107 | 100mg | In stock | Inquiry | |
| Batchno.20260202 | 10mg | In stock | Inquiry | |
| Batchno.20260526 | 10mg / 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
| Batchno.20260317 | 250mg | Out of stock | Inquiry | |
| Batchno.20251102 | 50mg | In stock | Inquiry | |
| Batchno.20250306 | 5mg | In stock | Inquiry |
- Product code: starshine_CAS614726-85-1
- Purity/Analytical Methods: >99.0%
614726-85-1 / 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
Basic Information
CAS
614726-85-1
Multi CAS
No
Molecular Formula
C17H12CL3N3O
Molecular Weight
380.700000
Exact Mass
379.004595
InChI
InChI=1S/C17H12Cl3N3O/c1-9-15(17(21)24)22-23(14-7-6-12(19)8-13(14)20)16(9)10-2-4-11(18)5-3-10/h2-8H,1H3,(H2,21,24)
InChIKey
BBUKVPCUOHFAQN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
17
Fraction Csp3
0.06
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
97.28
TPSA
60.91
LogP / Solubility
WLOGP
4.91
MLOGP
4.34
XLogP3
5
Consensus LogP
4.75
Log S (ESOL)
-5.62
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.22
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.57
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)
-1.56
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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