CAS RN: 958101-27-4
1H-Pyrazole, 4,4′-(1,3-phenylene)bis-
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.20260209 | 100mg / 250mg / 500mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS958101-27-4
- Purity/Analytical Methods: >99.0%
958101-27-4 / 4-[3-(1H-pyrazol-4-yl)phenyl]-1H-pyrazole
Basic Information
CAS
958101-27-4
Multi CAS
No
Molecular Formula
C12H10N4
Molecular Weight
210.230000
Exact Mass
210.090546
InChI
InChI=1S/C12H10N4/c1-2-9(11-5-13-14-6-11)4-10(3-1)12-7-15-16-8-12/h1-8H,(H,13,14)(H,15,16)
InChIKey
GSRYHHVNYJOBBE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
16
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
61.61
TPSA
57.36
LogP / Solubility
WLOGP
2.47
MLOGP
2.17
XLogP3
1.8
Consensus LogP
2.15
Log S (ESOL)
-3.31
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.06
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.31
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)
-2.25
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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