![CAS 839707-37-8 N-(3-(7-(1,3-dimethyl-1H-pyrazol-5-ylamino)-1-methyl-2-oxo-1,2-dihydropyrimido[4,5-d]pyrimidin-3(4H)-yl)-4-methylphenyl)-3-(trifluoromethyl)benzamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/839707-37-8.gif)
CAS RN: 839707-37-8
N-(3-(7-(1,3-dimethyl-1H-pyrazol-5-ylamino)-1-methyl-2-oxo-1,2-dihydropyrimido[4,5-d]pyrimidin-3(4H)-yl)-4-methylphenyl)-3-(trifluoromethyl)benzamide
Product Availability
Choose a grade to view its available package options.
7 package records7 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250430 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20260130 | 1mg | In stock | Shanghai | Inquiry | |
| Batchno.20251103 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20260114 | 2mg | In stock | Shanghai | Inquiry | |
| Batchno.20260211 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20250624 | 5mg | In stock | Shanghai | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250831 | 1mg / 5mg / 25mg / 50mg | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: starshine_CAS839707-37-8
- Purity/Analytical Methods: >99.0%
839707-37-8 / N-[3-[7-[(2,5-dimethylpyrazol-3-yl)amino]-1-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
Basic Information
CAS
839707-37-8
Multi CAS
Yes
Molecular Formula
C27F3H25N8O2
Molecular Weight
550.500000
Exact Mass
550.205257
InChI
InChI=1S/C27H25F3N8O2/c1-15-8-9-20(32-24(39)17-6-5-7-19(11-17)27(28,29)30)12-21(15)38-14-18-13-31-25(34-23(18)36(3)26(38)40)33-22-10-16(2)35-37(22)4/h5-13H,14H2,1-4H3,(H,32,39)(H,31,33,34)
InChIKey
NBZFRTJWEIHFPF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
40
Aromatic heavy atom count
23
Fraction Csp3
0.22
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
2
Molar refractivity
143.82
TPSA
108.28
LogP / Solubility
WLOGP
5.42
MLOGP
4.81
XLogP3
4
Consensus LogP
4.74
Log S (ESOL)
-6.76
Class (ESOL)
Insoluble
Log S (Ali)
-7.99
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.34
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.23
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Leadlikeness
No
Synthetic Accessibility
5
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