![CAS 877399-52-5 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(4-piperidinyl)-1H-pyrazol-4-yl]-2-Pyridinamine molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/44531200.gif)
CAS RN: 877399-52-5
3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(4-piperidinyl)-1H-pyrazol-4-yl]-2-Pyridinamine
Product Availability
Choose a grade to view its available package options.
21 package records21 with current stock4 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250122 | 100mg | In stock | Inquiry | ||
| Batchno.20260303 | 10mg | In stock | Inquiry | ||
| Batchno.20260108 | 1g | In stock | Inquiry | ||
| Batchno.20250831 | 250mg | In stock | Inquiry | ||
| Batchno.20250711 | 25g | In stock | Inquiry | ||
| Batchno.20260228 | 500mg | In stock | Inquiry | ||
| Batchno.20250817 | 5g | In stock | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260530 | 1ml | In stock | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250705 | 100mg | In stock | Shanghai, Shenzhen | Inquiry | |
| Batchno.20250424 | 100mg / 500mg / 1g / 5g / 25g | Confirm by inquiry | Shanghai, Shandong, Guangdong | 8-10 business days | Inquiry |
| Batchno.20250109 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20250825 | 1g | In stock | Shanghai, Shenzhen, Tianjin | Inquiry | |
| Batchno.20251207 | 1mg | In stock | Shanghai | Inquiry | |
| Batchno.20250310 | 250mg | In stock | Shanghai, Shenzhen, Tianjin, Chengdu | Inquiry | |
| Batchno.20260122 | 25g | In stock | Shanghai | Inquiry | |
| Batchno.20250513 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20251221 | 5g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan | Inquiry | |
| Batchno.20250323 | 5mg | In stock | Shanghai | Inquiry |
- Product code: LINR823899
877399-52-5 / 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
Basic Information
CAS
877399-52-5
Multi CAS
Yes
Molecular Formula
C21H22CL2FN5O
Molecular Weight
450.300000
Exact Mass
449.118544
InChI
InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m1/s1
InChIKey
KTEIFNKAUNYNJU-GFCCVEGCSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
17
Fraction Csp3
0.33
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
2
Molar refractivity
116.47
TPSA
77.99
LogP / Solubility
WLOGP
5.04
MLOGP
4.46
XLogP3
3.7
Consensus LogP
4.4
Log S (ESOL)
-5.9
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.89
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.37
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)
-1.89
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
3.5
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