![CAS 936091-14-4 N-(1,1-Dimethylethyl)-3-[[5-methyl-2-[[4-(4-methyl-1-piperazinyl)phenyl]amino]-4-pyrimidinyl]amino]benzenesulfonamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/936091-14-4.gif)
CAS RN: 936091-14-4
N-(1,1-Dimethylethyl)-3-[[5-methyl-2-[[4-(4-methyl-1-piperazinyl)phenyl]amino]-4-pyrimidinyl]amino]benzenesulfonamide
Product Availability
Choose a grade to view its available package options.
8 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250707 | 100mg | Out of stock | Inquiry | |
| Batchno.20250419 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20251018 | 1g | Out of stock | Inquiry | |
| Batchno.20260613 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20250808 | 250mg | Out of stock | Inquiry | |
| Batchno.20251203 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20260101 | 50mg | Out of stock | Inquiry | |
| Batchno.20250816 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS936091-14-4
- Purity/Analytical Methods: >99.0%
936091-14-4 / N-tert-butyl-3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]benzenesulfonamide
Basic Information
CAS
936091-14-4
Multi CAS
No
Molecular Formula
C26H35N7O2S
Molecular Weight
509.700000
Exact Mass
509.257295
InChI
InChI=1S/C26H35N7O2S/c1-19-18-27-25(29-20-9-11-22(12-10-20)33-15-13-32(5)14-16-33)30-24(19)28-21-7-6-8-23(17-21)36(34,35)31-26(2,3)4/h6-12,17-18,31H,13-16H2,1-5H3,(H2,27,28,29,30)
InChIKey
JVDOKQYTTYUYDV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
18
Fraction Csp3
0.38
Rotatable bonds
7
H-bond acceptors
8
H-bond donors
3
Molar refractivity
146
TPSA
102.49
LogP / Solubility
WLOGP
4.1
MLOGP
3.65
XLogP3
4.2
Consensus LogP
3.98
Log S (ESOL)
-5.49
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.7
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.22
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.92
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
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![CAS 936097-43-7 METHYL (2R)-2-{[(TERT-BUTOXY)CARBONYL]AMINO}-2-CYCLOPROPYLACETATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/936097-43-7.gif)