CAS RN: 1204334-27-9
6-BroMoquinazoline-4-carbonitrile
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.20250813 | 50mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1204334-27-9
- Purity/Analytical Methods: >99.0%
1204334-27-9 / 6-bromoquinazoline-4-carbonitrile
6-Bromoquinazoline-4-carbonitrile | MFCD26404372 | C9H4BrN3
Basic Information
CAS
1204334-27-9
Multi CAS
No
Molecular Formula
C9H4BrN3
Molecular Weight
234.050000
Exact Mass
232.958860
SMILES
C1=CC2=C(C=C1Br)C(=NC=N2)C#N
InChI
InChI=1S/C9H4BrN3/c10-6-1-2-8-7(3-6)9(4-11)13-5-12-8/h1-3,5H
InChIKey
GQIADAYLCADVIT-UHFFFAOYSA-N
Synonyms
6-Bromoquinazoline-4-carbonitrile
MFCD26404372
C9H4BrN3
AKOS022178044
DS-3093
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
H-bond acceptors
3
Molar refractivity
51.95
TPSA
49.57
LogP / Solubility
WLOGP
2.26
MLOGP
2
XLogP3
2.3
Consensus LogP
2.19
Log S (ESOL)
-3.29
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.11
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.06
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)
-2.54
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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