CAS RN: 2201057-79-4
4-(CYCLOHEX-1-EN-1-YL)-3-PHENYL-1H-PYRAZOL-5-AMINE
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.20251004 | 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2201057-79-4
- Purity/Analytical Methods: >99.0%
2201057-79-4 / 4-(cyclohexen-1-yl)-5-phenyl-1H-pyrazol-3-amine
Basic Information
CAS
2201057-79-4
Multi CAS
No
Molecular Formula
C15H17N3
Molecular Weight
239.320000
Exact Mass
239.142248
SMILES
C1CCC(=CC1)C2=C(NN=C2N)C3=CC=CC=C3
InChI
InChI=1S/C15H17N3/c16-15-13(11-7-3-1-4-8-11)14(17-18-15)12-9-5-2-6-10-12/h2,5-7,9-10H,1,3-4,8H2,(H3,16,17,18)
InChIKey
FJUZRHGINSAXKQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
11
Fraction Csp3
0.27
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
74.88
TPSA
54.7
LogP / Solubility
WLOGP
3.62
MLOGP
3.19
XLogP3
3.2
Consensus LogP
3.34
Log S (ESOL)
-3.92
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.13
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.46
Class (SILICOS-IT)
Slightly 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)
-1.61
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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