CAS RN: 188260-50-6
BCR-ABL-IN-1
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250222 | 1mg / 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS188260-50-6
- Purity/Analytical Methods: >99.0%
188260-50-6 / 4-[1-(3-aminopropyl)indol-4-yl]-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]pyrimidin-2-amine
Basic Information
CAS
188260-50-6
Multi CAS
No
Molecular Formula
C23H21F4N5O
Molecular Weight
459.400000
Exact Mass
459.168223
SMILES
C1=CC(=CC(=C1)OC(C(F)F)(F)F)NC2=NC=CC(=N2)C3=C4C=CN(C4=CC=C3)CCCN
InChI
InChI=1S/C23H21F4N5O/c24-21(25)23(26,27)33-16-5-1-4-15(14-16)30-22-29-11-8-19(31-22)17-6-2-7-20-18(17)9-13-32(20)12-3-10-28/h1-2,4-9,11,13-14,21H,3,10,12,28H2,(H,29,30,31)
InChIKey
HNAIZJDQDDXEGC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
21
Fraction Csp3
0.22
Rotatable bonds
9
H-bond acceptors
6
H-bond donors
2
Molar refractivity
117.94
TPSA
77.99
LogP / Solubility
WLOGP
5.43
MLOGP
4.81
XLogP3
4.8
Consensus LogP
5.01
Log S (ESOL)
-5.98
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.25
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.23
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.67
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
Customers Also Viewed
-
(S,S)-(+)-N,N’-BIS(3,5-DI-TERT-BUTYLSALICYLIDENE)-1,2-CYCLOHEXANEDIAMINO-COBALT(II)
- CAS RN: 188264-84-8
- Product Code: SSC-087572
-
8α-(2-Methylacryloyloxy)hirsutinolide
- CAS RN: 188293-70-1
- Product Code: starshine_CAS188293-70-1
- Purity/Analytical method: >99.0%
-
Massoniaside B
- CAS RN: 188300-19-8
- Product Code: starshine_CAS188300-19-8
- Purity/Analytical method: >99.0%
-
-
3,4-DIFLUORO-N-METHOXY-N-METHYLBENZAMIDE
- CAS RN: 188345-25-7
- Product Code: starshine_CAS188345-25-7
- Purity/Analytical method: >99.0%
-
