![CAS 896720-20-0 1H-Pyrrole-2-carboxaMide, 4-[2-[(2-chloro-4-fluorophenyl)aMino]-5-Methyl-4-pyriMidinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/896720-20-0.gif)
CAS RN: 896720-20-0
1H-Pyrrole-2-carboxaMide, 4-[2-[(2-chloro-4-fluorophenyl)aMino]-5-Methyl-4-pyriMidinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-
Product Availability
Choose a grade to view its available package options.
8 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260227 | 25mg / 100mg | Out of stock | 5-7 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250224 | 100mg | Out of stock | Inquiry | ||
| Batchno.20251025 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20251017 | 1mg | In stock | Shanghai | Inquiry | |
| Batchno.20251017 | 250mg | Out of stock | Inquiry | ||
| Batchno.20250127 | 25mg | Out of stock | Inquiry | ||
| Batchno.20251203 | 50mg | Out of stock | Inquiry | ||
| Batchno.20251124 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS896720-20-0
- Purity/Analytical Methods: >99.0%
896720-20-0 / 4-[2-(2-chloro-4-fluoroanilino)-5-methylpyrimidin-4-yl]-N-[1-(3-chlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide
Basic Information
CAS
896720-20-0
Multi CAS
Yes
Molecular Formula
C24H20CL2FN5O2
Molecular Weight
500.300000
Exact Mass
499.097808
InChI
InChI=1S/C24H20Cl2FN5O2/c1-13-10-29-24(31-19-6-5-17(27)9-18(19)26)32-22(13)15-8-20(28-11-15)23(34)30-21(12-33)14-3-2-4-16(25)7-14/h2-11,21,28,33H,12H2,1H3,(H,30,34)(H,29,31,32)/t21-/m1/s1
InChIKey
WUTVMXLIGHTZJC-OAQYLSRUSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
23
Fraction Csp3
0.12
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
4
Molar refractivity
129.99
TPSA
102.93
LogP / Solubility
WLOGP
5.43
MLOGP
4.82
XLogP3
4.7
Consensus LogP
4.98
Log S (ESOL)
-6.4
Class (ESOL)
Insoluble
Log S (Ali)
-7.59
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.26
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)
-1.91
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Leadlikeness
No
Synthetic Accessibility
3.5
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