CAS RN: 885520-47-8
1H-Indole, 4-broMo-6-nitro-
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.20251018 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS885520-47-8
- Purity/Analytical Methods: >99.0%
885520-47-8 / 4-bromo-6-nitro-1H-indole
Basic Information
CAS
885520-47-8
Multi CAS
No
Molecular Formula
BC8H5O2Rn2
Molecular Weight
241.040000
Exact Mass
239.953440
InChI
InChI=1S/C8H5BrN2O2/c9-7-3-5(11(12)13)4-8-6(7)1-2-10-8/h1-4,10H
InChIKey
BVXHHQBPXSUJPE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
52.65
TPSA
58.93
LogP / Solubility
WLOGP
2.84
MLOGP
2.5
XLogP3
2.6
Consensus LogP
2.65
Log S (ESOL)
-3.57
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.59
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.7
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)
-2.17
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
