CAS RN: 873786-09-5
PLX647
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250724 | 5mg / 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS873786-09-5
- Purity/Analytical Methods: >99.0%
873786-09-5 / 5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-amine
Basic Information
CAS
873786-09-5
Multi CAS
Yes
Molecular Formula
C21F3H17N4
Molecular Weight
382.400000
Exact Mass
382.140531
InChI
InChI=1S/C21H17F3N4/c22-21(23,24)17-6-3-14(4-7-17)11-26-19-8-5-15(12-27-19)10-16-13-28-20-18(16)2-1-9-25-20/h1-9,12-13H,10-11H2,(H,25,28)(H,26,27)
InChIKey
NODCQQSEMCESEC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
21
Fraction Csp3
0.14
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
101.91
TPSA
53.6
LogP / Solubility
WLOGP
5.18
MLOGP
4.58
XLogP3
4.9
Consensus LogP
4.89
Log S (ESOL)
-5.7
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.44
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.04
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)
-1.38
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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![CAS 873792-86-0 4,5-DICHLORO-1H-PYRROLO[2,3-D]PYRIMIDIN-2-AMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/873792-86-0.gif)
![CAS 873792-87-1 5-BROMO-4-CHLORO-1H-PYRROLO[2,3-D]PYRIMIDIN-2-AMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/873792-87-1.gif)
![CAS 873810-49-2 2-CHLORO-N-[4-[(2,6-DIMETHYLMORPHOLIN-4-YL)SULFONYL]PHENYL]ACETAMIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB1269925.gif)
