CAS RN: 1891087-61-8
BAY-1816032
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13 package records7 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250427 | 100mg | In stock | Inquiry | ||
| Batchno.20250510 | 10mg | In stock | Inquiry | ||
| Batchno.20260417 | 1mg | Out of stock | Inquiry | ||
| Batchno.20260517 | 25mg | In stock | Inquiry | ||
| Batchno.20250130 | 50mg | In stock | Inquiry | ||
| Batchno.20260530 | 5mg | In stock | Inquiry | ||
| Batchno.20250704 | 5mg / 10mg | Out of stock | 5-7 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260519 | 1ml | In stock | Inquiry |
- Product code: starshine_CAS1891087-61-8
- Purity/Analytical Methods: >99.0%
1891087-61-8 / 2-[3,5-difluoro-4-[[3-[5-methoxy-4-[(3-methoxy-4-pyridinyl)amino]pyrimidin-2-yl]indazol-1-yl]methyl]phenoxy]ethanol
Basic Information
CAS
1891087-61-8
Multi CAS
No
Molecular Formula
C27H24F2N6O4
Molecular Weight
534.500000
Exact Mass
534.182710
SMILES
COC1=CN=C(N=C1NC2=C(C=NC=C2)OC)C3=NN(C4=CC=CC=C43)CC5=C(C=C(C=C5F)OCCO)F
InChI
InChI=1S/C27H24F2N6O4/c1-37-23-13-30-8-7-21(23)32-26-24(38-2)14-31-27(33-26)25-17-5-3-4-6-22(17)35(34-25)15-18-19(28)11-16(12-20(18)29)39-10-9-36/h3-8,11-14,36H,9-10,15H2,1-2H3,(H,30,31,32,33)
InChIKey
QVOGVAVHOLLLAZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
39
Aromatic heavy atom count
27
Fraction Csp3
0.19
Rotatable bonds
10
H-bond acceptors
10
H-bond donors
2
Molar refractivity
139.42
TPSA
116.44
LogP / Solubility
WLOGP
4.35
MLOGP
3.87
XLogP3
3.4
Consensus LogP
3.87
Log S (ESOL)
-5.74
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.08
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.94
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
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)
-2.89
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5
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![CAS 1891128-35-0 2-(tert-butoxycarbonyl)-2-azabicyclo[4.1.0]heptane-5-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1891128-35-0.gif)
