CAS RN: 210708-22-8
3-Bromo-8-methyl-6-nitroquinoline
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.20250601 | 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS210708-22-8
- Purity/Analytical Methods: >99.0%
210708-22-8 / 3-bromo-8-methyl-6-nitroquinoline
Basic Information
CAS
210708-22-8
Multi CAS
No
Molecular Formula
C10H7BrN2O2
Molecular Weight
267.080000
Exact Mass
265.969090
SMILES
CC1=CC(=CC2=CC(=CN=C12)Br)[N+](=O)[O-]
InChI
InChI=1S/C10H7BrN2O2/c1-6-2-9(13(14)15)4-7-3-8(11)5-12-10(6)7/h2-5H,1H3
InChIKey
SIHOVNCABQDJFT-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
3.1
Consensus LogP
3.05
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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