CAS RN: 2230198-02-2
PF-06882961
Product Availability
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9 package records8 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250119 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20251014 | 10g | In stock | Shanghai | Inquiry | |
| Batchno.20260621 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20251203 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20251201 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20250329 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20260124 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20260219 | 5g | In stock | Shanghai | Inquiry | |
| Batchno.20260413 | 5mg / 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2230198-02-2
- Purity/Analytical Methods: >99.0%
2230198-02-2 / 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid
Basic Information
CAS
2230198-02-2
Multi CAS
No
Molecular Formula
C31H30FN5O4
Molecular Weight
555.600000
Exact Mass
555.228183
SMILES
C1CO[C@@H]1CN2C3=C(C=CC(=C3)C(=O)O)N=C2CN4CCC(CC4)C5=NC(=CC=C5)OCC6=C(C=C(C=C6)C#N)F
InChI
InChI=1S/C31H30FN5O4/c32-25-14-20(16-33)4-5-23(25)19-41-30-3-1-2-26(35-30)21-8-11-36(12-9-21)18-29-34-27-7-6-22(31(38)39)15-28(27)37(29)17-24-10-13-40-24/h1-7,14-15,21,24H,8-13,17-19H2,(H,38,39)/t24-/m0/s1
InChIKey
HYBAKUMPISVZQP-DEOSSOPVSA-N
Computed Properties
Structural Parameters
Heavy atom count
41
Aromatic heavy atom count
21
Fraction Csp3
0.35
Rotatable bonds
9
H-bond acceptors
8
H-bond donors
1
Molar refractivity
147.99
TPSA
113.5
LogP / Solubility
WLOGP
4.89
MLOGP
4.34
XLogP3
1.4
Consensus LogP
3.54
Log S (ESOL)
-6.15
Class (ESOL)
Insoluble
Log S (Ali)
-7.64
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.41
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)
-2.64
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6
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