![CAS 635725-16-5 Ethanone, 1-[4-[5-(4-chloro-2-fluorophenyl)-4-(4-pyrimidinyl)-1H-pyrazol-3-yl]-1-piperidinyl]-2-hydroxy- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/635725-16-5.gif)
CAS RN: 635725-16-5
Ethanone, 1-[4-[5-(4-chloro-2-fluorophenyl)-4-(4-pyrimidinyl)-1H-pyrazol-3-yl]-1-piperidinyl]-2-hydroxy-
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.20250105 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS635725-16-5
- Purity/Analytical Methods: >99.0%
635725-16-5 / 1-[4-[3-(4-chloro-2-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone
Basic Information
CAS
635725-16-5
Multi CAS
Yes
Molecular Formula
C20H19CLFN5O2
Molecular Weight
415.800000
Exact Mass
415.121131
InChI
InChI=1S/C20H19ClFN5O2/c21-13-1-2-14(15(22)9-13)20-18(16-3-6-23-11-24-16)19(25-26-20)12-4-7-27(8-5-12)17(29)10-28/h1-3,6,9,11-12,28H,4-5,7-8,10H2,(H,25,26)
InChIKey
IGGNAIYXGIUMQZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
17
Fraction Csp3
0.3
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
105.66
TPSA
95
LogP / Solubility
WLOGP
3.02
MLOGP
2.69
XLogP3
2
Consensus LogP
2.57
Log S (ESOL)
-4.49
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.15
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.35
Class (SILICOS-IT)
Slightly soluble
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)
-3.11
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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