CAS RN: 1190315-89-9
“8-bromoquinoline-4-carbonitrile”
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250514 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1190315-89-9
- Purity/Analytical Methods: >99.0%
1190315-89-9 / 8-bromoquinoline-4-carbonitrile
8-bromoquinoline-4-carbonitrile | MFCD12024578 | 8-bromoquinoline- 4-carbonitrile
Basic Information
CAS
1190315-89-9
Multi CAS
No
Molecular Formula
C10H5BrN2
Molecular Weight
233.060000
Exact Mass
231.963610
SMILES
C1=CC2=C(C=CN=C2C(=C1)Br)C#N
InChI
InChI=1S/C10H5BrN2/c11-9-3-1-2-8-7(6-12)4-5-13-10(8)9/h1-5H
InChIKey
UCDBLYHPJMMFMY-UHFFFAOYSA-N
Synonyms
8-bromoquinoline-4-carbonitrile
MFCD12024578
8-bromoquinoline- 4-carbonitrile
8-Bromo-4-cyanoquinoline
DTXSID70676539
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
H-bond acceptors
2
Molar refractivity
54.16
TPSA
36.68
LogP / Solubility
WLOGP
2.87
MLOGP
2.53
XLogP3
2.8
Consensus LogP
2.73
Log S (ESOL)
-3.66
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.54
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.56
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)
-2.1
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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