CAS RN: 3968-40-9
1-(1-PHENYL-1H-PYRAZOL-4-YL)ETHANONE
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.20260504 | 1g / 5g / 10g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS3968-40-9
- Purity/Analytical Methods: >99.0%
3968-40-9 / 1-(1-phenylpyrazol-4-yl)ethanone
Basic Information
CAS
3968-40-9
Multi CAS
Yes
Molecular Formula
C11H10N2O
Molecular Weight
186.210000
Exact Mass
186.079313
InChI
InChI=1S/C11H10N2O/c1-9(14)10-7-12-13(8-10)11-5-3-2-4-6-11/h2-8H,1H3
InChIKey
ZZLLGMSBHKIMHK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
11
Fraction Csp3
0.09
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
53.57
TPSA
34.89
LogP / Solubility
WLOGP
2.07
MLOGP
1.82
XLogP3
1.6
Consensus LogP
1.83
Log S (ESOL)
-2.75
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.59
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.83
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.38
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
1,2:3,4:5,6-TRI-O-ISOPROPYLIDENE-D-MANNITOL
- CAS RN: 3969-59-3
- Product Code: starshine_CAS3969-59-3
- Purity/Analytical method: >99.0%
-
-
-
-
-
5-CHLORO-1H-INDENE
- CAS RN: 3970-51-2
- Product Code: starshine_CAS3970-51-2
- Purity/Analytical method: >99.0%
