CAS RN: 315698-36-3
MLS1547
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.20250723 | 5mg / 25mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS315698-36-3
- Purity/Analytical Methods: >99.0%
315698-36-3 / 5-chloro-7-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinolin-8-ol
Basic Information
CAS
315698-36-3
Multi CAS
No
Molecular Formula
C19H19CLN4O
Molecular Weight
354.800000
Exact Mass
354.124739
InChI
InChI=1S/C19H19ClN4O/c20-16-12-14(19(25)18-15(16)4-3-7-22-18)13-23-8-10-24(11-9-23)17-5-1-2-6-21-17/h1-7,12,25H,8-11,13H2
InChIKey
OPEJNANYABTIGC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
16
Fraction Csp3
0.26
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
100.14
TPSA
52.49
LogP / Solubility
WLOGP
3.31
MLOGP
2.93
XLogP3
3.2
Consensus LogP
3.15
Log S (ESOL)
-4.4
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.86
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.07
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)
-2.53
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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