CAS RN: 937601-68-8
2-AMINO-6,8-DIBROMO-3-QUINOLINECARBOXAMIDE
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.20250523 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS937601-68-8
- Purity/Analytical Methods: >99.0%
937601-68-8 / 2-amino-6,8-dibromoquinoline-3-carboxamide
Basic Information
CAS
937601-68-8
Multi CAS
No
Molecular Formula
C10H7BR2N3O
Molecular Weight
344.990000
Exact Mass
344.893540
InChI
InChI=1S/C10H7Br2N3O/c11-5-1-4-2-6(10(14)16)9(13)15-8(4)7(12)3-5/h1-3H,(H2,13,15)(H2,14,16)
InChIKey
MMDYMXKTESCOCM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
70.07
TPSA
82
LogP / Solubility
WLOGP
2.44
MLOGP
2.17
XLogP3
2.7
Consensus LogP
2.44
Log S (ESOL)
-3.91
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.15
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.05
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.09
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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