CAS RN: 61854-62-4
Quinoline, 6-bromo-2-methyl-8-nitro-
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.20250510 | 25mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS61854-62-4
- Purity/Analytical Methods: >99.0%
61854-62-4 / 6-bromo-2-methyl-8-nitroquinoline
Basic Information
CAS
61854-62-4
Multi CAS
No
Molecular Formula
BC10H7O2Rn2
Molecular Weight
267.080000
Exact Mass
265.969090
InChI
InChI=1S/C10H7BrN2O2/c1-6-2-3-7-4-8(11)5-9(13(14)15)10(7)12-6/h2-5H,1H3
InChIKey
JVFBVZXZPOBPMB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
60.83
TPSA
56.03
LogP / Solubility
WLOGP
3.21
MLOGP
2.84
XLogP3
2.7
Consensus LogP
2.92
Log S (ESOL)
-3.95
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.07
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.18
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.07
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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