![CAS 1337531-89-1 1-[5-(4-AMino-7-Methyl-7H-pyrrolo[2,3-d]pyriMidin-5-yl)-2,3-dihydro-1H-indol-1-yl]-2-[3-fluoro-5-(trifluoroMethyl)phenyl]ethanone molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1337531-89-1.gif)
CAS RN: 1337531-89-1
1-[5-(4-AMino-7-Methyl-7H-pyrrolo[2,3-d]pyriMidin-5-yl)-2,3-dihydro-1H-indol-1-yl]-2-[3-fluoro-5-(trifluoroMethyl)phenyl]ethanone
Product Availability
Choose a grade to view its available package options.
12 package records11 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250629 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20251025 | 10mg / 25mg / 50mg | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20260210 | 1mg | In stock | Shanghai | Inquiry | |
| Batchno.20250510 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20260227 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20260525 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1337531-89-1
- Purity/Analytical Methods: >99.0%
1337531-89-1 / 1-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydroindol-1-yl]-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethanone
Basic Information
CAS
1337531-89-1
Multi CAS
No
Molecular Formula
C24H19F4N5O
Molecular Weight
469.400000
Exact Mass
469.152573
SMILES
CN1C=C(C2=C(N=CN=C21)N)C3=CC4=C(C=C3)N(CC4)C(=O)CC5=CC(=CC(=C5)F)C(F)(F)F
InChI
InChI=1S/C24H19F4N5O/c1-32-11-18(21-22(29)30-12-31-23(21)32)14-2-3-19-15(9-14)4-5-33(19)20(34)8-13-6-16(24(26,27)28)10-17(25)7-13/h2-3,6-7,9-12H,4-5,8H2,1H3,(H2,29,30,31)
InChIKey
PXVQGBJMIQCDEX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
21
Fraction Csp3
0.21
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
119.52
TPSA
77.04
LogP / Solubility
WLOGP
4.51
MLOGP
4
XLogP3
3.9
Consensus LogP
4.14
Log S (ESOL)
-5.85
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.66
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.81
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.38
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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![CAS 1337532-51-0 5-BroMo-7-Methyl-7H-pyrrolo[2,3-d]pyriMidin-4-aMine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1337532-51-0.gif)
![CAS 1337532-92-9 5-broMothieno[2,3-d]pyriMidin-4-aMine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1337532-92-9.gif)
![CAS 1337533-85-3 5-(2,3-Dihydro-1H-indol-5-yl)-7-methyl-7H-pyrrolo-[2,3-d]pyrimidin-4-amine dihydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1337533-85-3.gif)
