![CAS 937263-81-5 (2-(4-(4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)-3-methylphenylamino)quinazolin-6-ylamino)-4-methyl-4,5-dihydrooxazol-4-yl)methanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/937263-81-5.gif)
CAS RN: 937263-81-5
(2-(4-(4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)-3-methylphenylamino)quinazolin-6-ylamino)-4-methyl-4,5-dihydrooxazol-4-yl)methanol
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250511 | 5mg | Out of stock | Inquiry |
- Product code: starshine_CAS937263-81-5
- Purity/Analytical Methods: >99.0%
937263-81-5 / [4-methyl-2-[[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]amino]-5H-1,3-oxazol-4-yl]methanol
Basic Information
CAS
937263-81-5
Multi CAS
No
Molecular Formula
C26H24N8O3
Molecular Weight
496.500000
Exact Mass
496.197137
InChI
InChI=1S/C26H24N8O3/c1-16-9-17(4-6-22(16)37-19-7-8-34-23(11-19)28-15-30-34)31-24-20-10-18(3-5-21(20)27-14-29-24)32-25-33-26(2,12-35)13-36-25/h3-11,14-15,35H,12-13H2,1-2H3,(H,32,33)(H,27,29,31)
InChIKey
TWEMIPSDKADNMC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
37
Aromatic heavy atom count
25
Fraction Csp3
0.19
Rotatable bonds
6
H-bond acceptors
11
H-bond donors
3
Molar refractivity
139.56
TPSA
131.08
LogP / Solubility
WLOGP
4.07
MLOGP
3.61
XLogP3
2.9
Consensus LogP
3.53
Log S (ESOL)
-5.58
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.57
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.98
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.86
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6
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