CAS RN: 956453-60-4
3-(4-BUTYLPHENYL)-1-PHENYL-1H-PYRAZOL-5-AMINE
- Product code: SSC-211176
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.25g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
956453-60-4 / 3-(4-butylphenyl)-1-phenylpyrazol-5-amine
Basic Information
CAS
956453-60-4
Multi CAS
No
Molecular Formula
C19H21N3
Molecular Weight
291.400000
Exact Mass
291.173548
InChI
InChI=1S/C19H21N3/c1-2-3-7-15-10-12-16(13-11-15)18-14-19(20)22(21-18)17-8-5-4-6-9-17/h4-6,8-14H,2-3,7,20H2,1H3
InChIKey
AIFFAHUZAKKYNO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
17
Fraction Csp3
0.21
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
92.02
TPSA
43.84
LogP / Solubility
WLOGP
4.46
MLOGP
3.94
XLogP3
5.1
Consensus LogP
4.5
Log S (ESOL)
-4.7
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.17
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.86
Class (SILICOS-IT)
Slightly soluble
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
No
Log Kp (skin permeation)
-1.33
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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