CAS RN: 2088852-47-3
PIM inhibitor 1 (phosphate)
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.20250903 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2088852-47-3
- Purity/Analytical Methods: >99.0%
2088852-47-3 / N-[(7R)-4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
Basic Information
CAS
2088852-47-3
Multi CAS
No
Molecular Formula
C26H26F3N5O3
Molecular Weight
513.500000
Exact Mass
513.198774
SMILES
C[C@H]1CN(C[C@H]([C@@H]1O)N)C2=C3CC[C@H](C3=NC=C2NC(=O)C4=NC(=C(C=C4)F)C5=C(C=CC=C5F)F)O
InChI
InChI=1S/C26H26F3N5O3/c1-12-10-34(11-17(30)25(12)36)24-13-5-8-20(35)22(13)31-9-19(24)33-26(37)18-7-6-16(29)23(32-18)21-14(27)3-2-4-15(21)28/h2-4,6-7,9,12,17,20,25,35-36H,5,8,10-11,30H2,1H3,(H,33,37)/t12-,17+,20+,25+/m0/s1
InChIKey
PTORCEYGCGXHDH-OVMXCRKPSA-N
Computed Properties
Structural Parameters
Heavy atom count
37
Aromatic heavy atom count
18
Fraction Csp3
0.35
Rotatable bonds
4
H-bond acceptors
7
H-bond donors
4
Molar refractivity
130.38
TPSA
124.6
LogP / Solubility
WLOGP
2.94
MLOGP
2.62
XLogP3
1.7
Consensus LogP
2.42
Log S (ESOL)
-4.97
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.89
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.92
Class (SILICOS-IT)
Slightly soluble
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)
-3.77
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
7
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![CAS 2088975-64-6 8-bromo-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine(WXFC0506) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2088975-64-6.png)