CAS RN: 889944-45-0
(6-NITROQUINOLIN-2-YL)METHANOL
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.20250625 | 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS889944-45-0
- Purity/Analytical Methods: >99.0%
889944-45-0 / (6-nitroquinolin-2-yl)methanol
Basic Information
CAS
889944-45-0
Multi CAS
No
Molecular Formula
C10H8N2O3
Molecular Weight
204.180000
Exact Mass
204.053492
InChI
InChI=1S/C10H8N2O3/c13-6-8-2-1-7-5-9(12(14)15)3-4-10(7)11-8/h1-5,13H,6H2
InChIKey
JDYYLMAWYVNLPY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.1
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
54.32
TPSA
76.26
LogP / Solubility
WLOGP
1.64
MLOGP
1.44
XLogP3
1.2
Consensus LogP
1.43
Log S (ESOL)
-2.5
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.42
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.58
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.8
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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