CAS RN: 67303-38-2
4-Bromo-7-methoxyisatin
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.20250422 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS67303-38-2
- Purity/Analytical Methods: >99.0%
67303-38-2 / 4-bromo-7-methoxy-1H-indole-2,3-dione
Basic Information
CAS
67303-38-2
Multi CAS
No
Molecular Formula
BC9H6O3Rn
Molecular Weight
256.050000
Exact Mass
254.953110
InChI
InChI=1S/C9H6BrNO3/c1-14-5-3-2-4(10)6-7(5)11-9(13)8(6)12/h2-3H,1H3,(H,11,12,13)
InChIKey
UPLXITZBWUCNFA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
53.65
TPSA
55.4
LogP / Solubility
WLOGP
1.59
MLOGP
1.41
XLogP3
1.4
Consensus LogP
1.47
Log S (ESOL)
-2.68
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.81
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.77
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.15
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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