CAS RN: 1782390-81-1
6-Bromo-2-trifluoromethyl-1H-indole
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260501 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-078636
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g, 5g
- Available purity: >98%
- Inventory rows with stock: 6
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | -- | 1 In Stock | Shanghai | Inquiry |
| 0.1g | >98% | 1 In Stock | Shanghai | Inquiry |
| 0.25g | -- | 1 In Stock | Shenzhen | Inquiry |
| 0.25g | >98% | 1 In Stock | Shenzhen | Inquiry |
| 1g | -- | 1 In Stock | Shanghai | Inquiry |
| 1g | >98% | 1 In Stock | Beijing | Inquiry |
| 5g | -- | 0 Out of Stock | Shanghai | Inquiry |
| 5g | >98% | 0 Out of Stock | Hong Kong | Inquiry |
1782390-81-1 / 6-bromo-2-(trifluoromethyl)-1H-indole
Basic Information
CAS
1782390-81-1
Multi CAS
No
Molecular Formula
C9H5BrF3N
Molecular Weight
264.040000
Exact Mass
262.955750
SMILES
C1=CC2=C(C=C1Br)NC(=C2)C(F)(F)F
InChI
InChI=1S/C9H5BrF3N/c10-6-2-1-5-3-8(9(11,12)13)14-7(5)4-6/h1-4,14H
InChIKey
KSBHDTNUEBRGFF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.11
H-bond acceptors
3
H-bond donors
1
Molar refractivity
51
TPSA
15.79
LogP / Solubility
WLOGP
3.95
MLOGP
3.48
XLogP3
3.7
Consensus LogP
3.71
Log S (ESOL)
-4.44
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.58
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.65
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.53
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
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]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
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, P403+P233, P405, and P501
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