CAS RN: 873551-53-2
FTIDC
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.20260328 | 5mg / 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS873551-53-2
- Purity/Analytical Methods: >99.0%
873551-53-2 / 4-[1-(2-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]-N-methyl-N-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxamide
Basic Information
CAS
873551-53-2
Multi CAS
No
Molecular Formula
C18FH23N6O
Molecular Weight
358.400000
Exact Mass
358.191738
InChI
InChI=1S/C18H23FN6O/c1-12(2)23(4)18(26)24-10-7-14(8-11-24)16-13(3)25(22-21-16)15-6-5-9-20-17(15)19/h5-7,9,12H,8,10-11H2,1-4H3
InChIKey
CJTLKLBSIFQKNT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
11
Fraction Csp3
0.44
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
96.31
TPSA
67.15
LogP / Solubility
WLOGP
2.66
MLOGP
2.36
XLogP3
1.6
Consensus LogP
2.21
Log S (ESOL)
-3.85
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.42
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.56
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.02
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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2-Pyrrolidinecarboxamide, N-(4-phenyl-1,2,3-thiadiazol-5-yl)-, monohydrochloride, (2S)- (9CI)
- CAS RN: 873581-19-2
- Product Code: starshine_CAS873581-19-2
- Purity/Analytical method: >99.0%
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