![CAS 955972-07-3 [3-(3,4-DIMETHYLPHENYL)-1-PHENYL-1H-PYRAZOL-4-YL]METHANOL molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB1193211.gif)
CAS RN: 955972-07-3
[3-(3,4-DIMETHYLPHENYL)-1-PHENYL-1H-PYRAZOL-4-YL]METHANOL
- Product code: SSC-211047
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 | Shanghai | Inquiry |
955972-07-3 / [3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methanol
Basic Information
CAS
955972-07-3
Multi CAS
No
Molecular Formula
C18H18N2O
Molecular Weight
278.300000
Exact Mass
278.141913
InChI
InChI=1S/C18H18N2O/c1-13-8-9-15(10-14(13)2)18-16(12-21)11-20(19-18)17-6-4-3-5-7-17/h3-11,21H,12H2,1-2H3
InChIKey
HZIUFCSZDOXXEO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
17
Fraction Csp3
0.17
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
84.4
TPSA
38.05
LogP / Solubility
WLOGP
3.65
MLOGP
3.22
XLogP3
3.4
Consensus LogP
3.42
Log S (ESOL)
-4.27
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.48
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.86
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)
-1.83
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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