CAS RN: 1092287-69-8
8-bromo-4-methylcinnoline
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20251204 | 50mg | Out of stock | Inquiry |
- Product code: starshine_CAS1092287-69-8
- Purity/Analytical Methods: >99.0%
1092287-69-8 / 8-bromo-4-methylcinnoline
8-BROMO-4-METHYLCINNOLINE | 8-bromo-4-methyl-cinnoline | SCHEMBL26206161
Basic Information
CAS
1092287-69-8
Multi CAS
No
Molecular Formula
C9H7BrN2
Molecular Weight
223.070000
Exact Mass
221.979260
SMILES
CC1=CN=NC2=C1C=CC=C2Br
InChI
InChI=1S/C9H7BrN2/c1-6-5-11-12-9-7(6)3-2-4-8(9)10/h2-5H,1H3
InChIKey
NFXNYBCKEYDLMU-UHFFFAOYSA-N
Synonyms
8-BROMO-4-METHYLCINNOLINE
8-bromo-4-methyl-cinnoline
SCHEMBL26206161
STB28769
AKOS023554361
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
10
Fraction Csp3
0.11
H-bond acceptors
2
Molar refractivity
51.98
TPSA
25.78
LogP / Solubility
WLOGP
2.7
MLOGP
2.38
XLogP3
2.2
Consensus LogP
2.43
Log S (ESOL)
-3.54
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.34
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.35
Class (SILICOS-IT)
Poorly 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)
-2.16
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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