CAS RN: 42754-62-1
5-AMINO-3-(4-CHLOROPHENYL)-1H-PYRAZOLE-4-CARBONITRILE
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.20250619 | 50mg / 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS42754-62-1
- Purity/Analytical Methods: >99.0%
42754-62-1 / 3-amino-5-(4-chlorophenyl)-1H-pyrazole-4-carbonitrile
Basic Information
CAS
42754-62-1
Multi CAS
Yes
Molecular Formula
C10H7CLN4
Molecular Weight
218.640000
Exact Mass
218.035924
InChI
InChI=1S/C10H7ClN4/c11-7-3-1-6(2-4-7)9-8(5-12)10(13)15-14-9/h1-4H,(H3,13,14,15)
InChIKey
DWFJNGUSRCQFDM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
58.16
TPSA
78.49
LogP / Solubility
WLOGP
2.18
MLOGP
1.92
XLogP3
2.4
Consensus LogP
2.17
Log S (ESOL)
-3.05
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.93
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.01
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.5
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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