CAS RN: 1484-27-1
3-Bromoindole
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250901 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1484-27-1
- Purity/Analytical Methods: >99.0%
1484-27-1 / 3-bromo-1H-indole
Basic Information
CAS
1484-27-1
Multi CAS
No
Molecular Formula
C8H6BrN
Molecular Weight
196.040000
Exact Mass
194.968360
SMILES
C1=CC=C2C(=C1)C(=CN2)Br
InChI
InChI=1S/C8H6BrN/c9-7-5-10-8-4-2-1-3-6(7)8/h1-5,10H
InChIKey
YHIWBVHIGCRVLE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
9
H-bond donors
1
Molar refractivity
46
TPSA
15.79
LogP / Solubility
WLOGP
2.93
MLOGP
2.58
XLogP3
3.3
Consensus LogP
2.94
Log S (ESOL)
-3.57
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.28
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.37
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.84
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Flammable
Irritant
Signal
Danger
GHS Hazard Statements
H205 (100%): (Deleted) May mass explode in fire [Danger Explosives]
H228 (100%): Flammable solid [Danger Flammable solids]
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P210, P230, P240, P241, P250, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P370+P380, P372, P373, P401, P403+P233, P405, and P501
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- Product Code: starshine_CAS1484-73-7
- Purity/Analytical method: >99.0%
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