CAS RN: 115762-17-9
Ruzadolane
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250818 | 5mg | Out of stock | Inquiry |
- Product code: starshine_CAS115762-17-9
- Purity/Analytical Methods: >99.0%
115762-17-9 / 3-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine
Ruzadolane | UP 26-91 | ruzadolano
Basic Information
CAS
115762-17-9
Multi CAS
No
Molecular Formula
C18H19F2N5S
Molecular Weight
375.400000
Exact Mass
375.132923
SMILES
C1CN(CCN1CCSC2=NN=C3N2C=CC=C3)C4=C(C=C(C=C4)F)F
InChI
InChI=1S/C18H19F2N5S/c19-14-4-5-16(15(20)13-14)24-9-7-23(8-10-24)11-12-26-18-22-21-17-3-1-2-6-25(17)18/h1-6,13H,7-12H2
InChIKey
LOKBLLCVOKCEFR-UHFFFAOYSA-N
Synonyms
Ruzadolane
UP 26-91
ruzadolano
ZKV3GT35TR
UP2691
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
15
Fraction Csp3
0.33
Rotatable bonds
5
H-bond acceptors
6
Molar refractivity
98.72
TPSA
36.67
LogP / Solubility
WLOGP
2.92
MLOGP
2.59
XLogP3
3.9
Consensus LogP
3.14
Log S (ESOL)
-4.11
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.75
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.13
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)
-2.94
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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