CAS RN: 1919888-06-4
LY3295668 (Synonyms: AK-01)
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.20250610 | 5mg / 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1919888-06-4
- Purity/Analytical Methods: >99.0%
1919888-06-4 / (2R,4R)-1-[(3-chloro-2-fluorophenyl)methyl]-4-[[3-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]methyl]-2-methylpiperidine-4-carboxylic acid
Basic Information
CAS
1919888-06-4
Multi CAS
No
Molecular Formula
C24H26ClF2N5O2
Molecular Weight
489.900000
Exact Mass
489.174309
SMILES
C[C@@H]1C[C@](CCN1CC2=C(C(=CC=C2)Cl)F)(CC3=C(C=CC(=N3)NC4=NNC(=C4)C)F)C(=O)O
InChI
InChI=1S/C24H26ClF2N5O2/c1-14-10-21(31-30-14)29-20-7-6-18(26)19(28-20)12-24(23(33)34)8-9-32(15(2)11-24)13-16-4-3-5-17(25)22(16)27/h3-7,10,15H,8-9,11-13H2,1-2H3,(H,33,34)(H2,28,29,30,31)/t15-,24-/m1/s1
InChIKey
YQQZZYYQTCPEAS-OYLFLEFRSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
17
Fraction Csp3
0.38
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
3
Molar refractivity
125.09
TPSA
94.14
LogP / Solubility
WLOGP
5.09
MLOGP
4.51
XLogP3
2.4
Consensus LogP
4
Log S (ESOL)
-5.99
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.25
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.91
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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![CAS 1922098-69-8 3-Piperidinecarboxamide, N-(4-chlorophenyl)-5,5-difluoro-1-[3-(2-furanyl)benzoyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1922098-69-8.gif)
