![CAS 937276-52-3 Methanone, (5-chloro-2-fluorophenyl)[(3S)-3-[[4-(3-cyclopropyl-3-fluoro-1-azetidinyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyrimidinyl]oxy]-1-pyrrolidinyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/937276-52-3.gif)
CAS RN: 937276-52-3
Methanone, (5-chloro-2-fluorophenyl)[(3S)-3-[[4-(3-cyclopropyl-3-fluoro-1-azetidinyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyrimidinyl]oxy]-1-pyrrolidinyl]-
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.20251022 | 1mg / 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS937276-52-3
- Purity/Analytical Methods: >99.0%
937276-52-3 / (5-chloro-2-fluorophenyl)-[(3S)-3-[4-(3-cyclopropyl-3-fluoroazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]oxypyrrolidin-1-yl]methanone
Basic Information
CAS
937276-52-3
Multi CAS
No
Molecular Formula
C25H26CLF2N7O2
Molecular Weight
530.000000
Exact Mass
529.180457
InChI
InChI=1S/C25H26ClF2N7O2/c1-14-8-21(33-32-14)29-20-10-22(35-12-25(28,13-35)15-2-3-15)31-24(30-20)37-17-6-7-34(11-17)23(36)18-9-16(26)4-5-19(18)27/h4-5,8-10,15,17H,2-3,6-7,11-13H2,1H3,(H2,29,30,31,32,33)/t17-/m0/s1
InChIKey
SLUHYAXFRJQTGB-KRWDZBQOSA-N
Computed Properties
Structural Parameters
Heavy atom count
37
Aromatic heavy atom count
17
Fraction Csp3
0.44
Rotatable bonds
7
H-bond acceptors
7
H-bond donors
2
Molar refractivity
133.76
TPSA
99.27
LogP / Solubility
WLOGP
4.28
MLOGP
3.8
XLogP3
4.7
Consensus LogP
4.26
Log S (ESOL)
-5.7
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.99
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.49
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)
-2.92
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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