CAS RN: 65089-17-0
Pirinixil
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.20260413 | 1mg / 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS65089-17-0
- Purity/Analytical Methods: >99.0%
65089-17-0 / 2-[4-chloro-6-(2,3-dimethylanilino)pyrimidin-2-yl]sulfanyl-N-(2-hydroxyethyl)acetamide
Basic Information
CAS
65089-17-0
Multi CAS
Yes
Molecular Formula
C16H19CLN4O2S
Molecular Weight
366.900000
Exact Mass
366.091725
InChI
InChI=1S/C16H19ClN4O2S/c1-10-4-3-5-12(11(10)2)19-14-8-13(17)20-16(21-14)24-9-15(23)18-6-7-22/h3-5,8,22H,6-7,9H2,1-2H3,(H,18,23)(H,19,20,21)
InChIKey
RZCKTPORLKUFGY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.31
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
3
Molar refractivity
97.06
TPSA
87.14
LogP / Solubility
WLOGP
2.69
MLOGP
2.39
XLogP3
3.3
Consensus LogP
2.79
Log S (ESOL)
-3.72
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.51
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.12
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)
-3.05
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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![CAS 65092-21-9 1′-Acetyl-3,5,6,7-tetrahydrospiro[imidazo[4,5-c]-pyridine-4,4′-piperidine] molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB02555247.gif)
