CAS RN: 1855846-73-9
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Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250120 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1855846-73-9
- Purity/Analytical Methods: >99.0%
1855846-73-9 / 4-[4-[3,5-bis[4-(1H-pyrazol-4-yl)phenyl]phenyl]phenyl]-1H-pyrazole
Basic Information
CAS
1855846-73-9
Multi CAS
No
Molecular Formula
C33H24N6
Molecular Weight
504.600000
Exact Mass
504.206245
SMILES
C1=CC(=CC=C1C2=CC(=CC(=C2)C3=CC=C(C=C3)C4=CNN=C4)C5=CC=C(C=C5)C6=CNN=C6)C7=CNN=C7
InChI
InChI=1S/C33H24N6/c1-7-25(31-16-34-35-17-31)8-2-22(1)28-13-29(23-3-9-26(10-4-23)32-18-36-37-19-32)15-30(14-28)24-5-11-27(12-6-24)33-20-38-39-21-33/h1-21H,(H,34,35)(H,36,37)(H,38,39)
InChIKey
MDIYJAFDHNWCHR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
39
Aromatic heavy atom count
39
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
3
Molar refractivity
155.5
TPSA
86.04
LogP / Solubility
WLOGP
7.86
MLOGP
6.95
XLogP3
6.6
Consensus LogP
7.14
Log S (ESOL)
-8.26
Class (ESOL)
Insoluble
Log S (Ali)
-9.37
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.18
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.22
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
6
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