![CAS 839706-07-9 BenzaMide, N-[3-[1,4-dihydro-1-Methyl-7-[(6-Methyl-3-pyridinyl)aMino]-2-oxopyriMido[4,5-d]pyriMidin-3(2H)-yl]-4-Methylphenyl]-3-(trifluoroMethyl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/839706-07-9.gif)
CAS RN: 839706-07-9
BenzaMide, N-[3-[1,4-dihydro-1-Methyl-7-[(6-Methyl-3-pyridinyl)aMino]-2-oxopyriMido[4,5-d]pyriMidin-3(2H)-yl]-4-Methylphenyl]-3-(trifluoroMethyl)-
Product Availability
Choose a grade to view its available package options.
12 package records12 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250120 | 1ml | In stock | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250726 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250809 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250929 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20251213 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20250418 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20260118 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20260626 | 5mg | In stock | Shanghai | Inquiry |
- Product code: SSC-191598
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
839706-07-9 / N-[4-methyl-3-[1-methyl-7-[(6-methyl-3-pyridinyl)amino]-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl]phenyl]-3-(trifluoromethyl)benzamide
Basic Information
CAS
839706-07-9
Multi CAS
No
Molecular Formula
C28F3H24N7O2
Molecular Weight
547.500000
Exact Mass
547.194358
InChI
InChI=1S/C28H24F3N7O2/c1-16-7-9-21(34-25(39)18-5-4-6-20(11-18)28(29,30)31)12-23(16)38-15-19-13-33-26(36-24(19)37(3)27(38)40)35-22-10-8-17(2)32-14-22/h4-14H,15H2,1-3H3,(H,34,39)(H,33,35,36)
InChIKey
SZNYUUZOQHNEKB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
40
Aromatic heavy atom count
24
Fraction Csp3
0.18
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
2
Molar refractivity
144.85
TPSA
103.35
LogP / Solubility
WLOGP
6.08
MLOGP
5.39
XLogP3
4.3
Consensus LogP
5.26
Log S (ESOL)
-7.18
Class (ESOL)
Insoluble
Log S (Ali)
-8.44
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.87
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
-1.74
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
5
Customers Also Viewed
-
![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](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
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
- CAS RN: 839707-37-8
- Product Code: starshine_CAS839707-37-8
- Purity/Analytical method: >99.0%
-
5-PyriMidinecarboxaldehyde, 2-chloro-4-(MethylaMino)-
- CAS RN: 839708-50-8
- Product Code: SSC-191599
-
-
N-(Phenylsulfonyl)-L-proline-2-carboxamide
- CAS RN: 839711-69-2
- Product Code: starshine_CAS839711-69-2
- Purity/Analytical method: >99.0%
-
2,7-Dimethyl-1,4-dihydroxynaphthalene 1-O-glucoside
- CAS RN: 839711-70-5
- Product Code: starshine_CAS839711-70-5
- Purity/Analytical method: >99.0%
-
1-(2,3-DICHLOROPHENYL)-1,4-DIAZEPANE HCL
- CAS RN: 839712-09-3
- Product Code: starshine_CAS839712-09-3
- Purity/Analytical method: >99.0%
![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)
