![CAS 936091-26-8 N-(1,1-Dimethylethyl)-3-[[5-methyl-2-[[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]amino]-4-pyrimidinyl]amino]benzenesulfonamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/936091-26-8.gif)
CAS RN: 936091-26-8
N-(1,1-Dimethylethyl)-3-[[5-methyl-2-[[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]amino]-4-pyrimidinyl]amino]benzenesulfonamide
Product Availability
Choose a grade to view its available package options.
13 package records13 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251124 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20251217 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20251004 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20251115 | 1g | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20250822 | 250mg | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20260531 | 25mg | In stock | Shanghai, Hebei | Inquiry |
| Batchno.20260419 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250908 | 5mg | In stock | Shanghai, Shandong | Inquiry |
| Batchno.20250531 | 5mg | In stock | Shanghai | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250224 | 1ml | In stock | Inquiry |
- Product code: starshine_CAS936091-26-8
- Purity/Analytical Methods: >99.0%
936091-26-8 / N-tert-butyl-3-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]benzenesulfonamide
Basic Information
CAS
936091-26-8
Multi CAS
Yes
Molecular Formula
C27H36N6O3S
Molecular Weight
524.700000
Exact Mass
524.256960
InChI
InChI=1S/C27H36N6O3S/c1-20-19-28-26(30-21-10-12-23(13-11-21)36-17-16-33-14-5-6-15-33)31-25(20)29-22-8-7-9-24(18-22)37(34,35)32-27(2,3)4/h7-13,18-19,32H,5-6,14-17H2,1-4H3,(H2,28,29,30,31)
InChIKey
JOOXLOJCABQBSG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
37
Aromatic heavy atom count
18
Fraction Csp3
0.41
Rotatable bonds
10
H-bond acceptors
8
H-bond donors
3
Molar refractivity
147.46
TPSA
108.48
LogP / Solubility
WLOGP
4.82
MLOGP
4.28
XLogP3
4.8
Consensus LogP
4.63
Log S (ESOL)
-5.83
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.35
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.27
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)
-2.5
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
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