![CAS 1282514-64-0 1H-Pyrazole-1-acetic acid, 4-[5,6-dihydro-2-[3-Methyl-1-(1-Methylethyl)-1H-1,2,4-triazol-5-yl]iMidazo[1,2-d][1,4]benzoxazepin-9-yl]-α,α-diMethyl-, ethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1282514-64-0.gif)
CAS RN: 1282514-64-0
1H-Pyrazole-1-acetic acid, 4-[5,6-dihydro-2-[3-Methyl-1-(1-Methylethyl)-1H-1,2,4-triazol-5-yl]iMidazo[1,2-d][1,4]benzoxazepin-9-yl]-α,α-diMethyl-, ethyl ester
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.20250731 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1282514-64-0
- Purity/Analytical Methods: >99.0%
1282514-64-0 / ethyl 2-methyl-2-[4-[2-(5-methyl-2-propan-2-yl-1,2,4-triazol-3-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]pyrazol-1-yl]propanoate
Basic Information
CAS
1282514-64-0
Multi CAS
No
Molecular Formula
C26H31N7O3
Molecular Weight
489.600000
Exact Mass
489.248838
SMILES
CCOC(=O)C(C)(C)N1C=C(C=N1)C2=CC3=C(C=C2)C4=NC(=CN4CCO3)C5=NC(=NN5C(C)C)C
InChI
InChI=1S/C26H31N7O3/c1-7-35-25(34)26(5,6)32-14-19(13-27-32)18-8-9-20-22(12-18)36-11-10-31-15-21(29-23(20)31)24-28-17(4)30-33(24)16(2)3/h8-9,12-16H,7,10-11H2,1-6H3
InChIKey
GEPYFMNKRMHMLU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
21
Fraction Csp3
0.42
Rotatable bonds
6
H-bond acceptors
10
Molar refractivity
134.47
TPSA
101.88
LogP / Solubility
WLOGP
4.25
MLOGP
3.78
XLogP3
3.2
Consensus LogP
3.74
Log S (ESOL)
-5.59
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.64
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.09
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5
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