CAS RN: 1800505-64-9
PZ-1
Product Availability
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6 package records2 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250208 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1800505-64-9
- Purity/Analytical Methods: >99.0%
1800505-64-9 / N-(5-tert-butyl-1,2-oxazol-3-yl)-2-[4-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]phenyl]acetamide
Basic Information
CAS
1800505-64-9
Multi CAS
No
Molecular Formula
C26H26N6O2
Molecular Weight
454.500000
Exact Mass
454.211724
SMILES
CC(C)(C)C1=CC(=NO1)NC(=O)CC2=CC=C(C=C2)N3C=NC4=C3C=CC(=C4)C5=CN(N=C5)C
InChI
InChI=1S/C26H26N6O2/c1-26(2,3)23-13-24(30-34-23)29-25(33)11-17-5-8-20(9-6-17)32-16-27-21-12-18(7-10-22(21)32)19-14-28-31(4)15-19/h5-10,12-16H,11H2,1-4H3,(H,29,30,33)
InChIKey
NJLMIILZNLZZFW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
25
Fraction Csp3
0.23
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
1
Molar refractivity
130.81
TPSA
90.77
LogP / Solubility
WLOGP
4.89
MLOGP
4.34
XLogP3
4.3
Consensus LogP
4.51
Log S (ESOL)
-5.95
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.82
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.28
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.02
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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