CAS RN: 260553-97-7
TM-25659
Product Availability
Choose a grade to view its available package options.
8 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251115 | 5mg / 25mg / 100mg | Out of stock | 5-7 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250718 | 100mg | Out of stock | Inquiry | ||
| Batchno.20250213 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20250607 | 1g | Out of stock | Inquiry | ||
| Batchno.20260611 | 1mg | In stock | Shanghai | Inquiry | |
| Batchno.20251128 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20250514 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20260609 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS260553-97-7
- Purity/Analytical Methods: >99.0%
260553-97-7 / 2-butyl-5-methyl-6-pyridin-3-yl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
Basic Information
CAS
260553-97-7
Multi CAS
No
Molecular Formula
C30H28N8
Molecular Weight
500.600000
Exact Mass
500.243693
SMILES
CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)N=C(C(=C2)C6=CN=CC=C6)C
InChI
InChI=1S/C30H28N8/c1-3-4-11-28-33-27-17-26(23-8-7-16-31-18-23)20(2)32-30(27)38(28)19-21-12-14-22(15-13-21)24-9-5-6-10-25(24)29-34-36-37-35-29/h5-10,12-18H,3-4,11,19H2,1-2H3,(H,34,35,36,37)
InChIKey
KCOQNLYGMQJUJD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
38
Aromatic heavy atom count
32
Fraction Csp3
0.2
Rotatable bonds
8
H-bond acceptors
7
H-bond donors
1
Molar refractivity
148.26
TPSA
98.06
LogP / Solubility
WLOGP
6.04
MLOGP
5.35
XLogP3
5.8
Consensus LogP
5.73
Log S (ESOL)
-6.84
Class (ESOL)
Insoluble
Log S (Ali)
-8.03
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.89
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)
-1.49
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
5.5
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