CAS RN: 144631-82-3
Riluzole 4-Bromo Impurity
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.20250919 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS144631-82-3
- Purity/Analytical Methods: >99.0%
144631-82-3 / 4-bromo-6-(trifluoromethoxy)-1,3-benzothiazol-2-amine
Basic Information
CAS
144631-82-3
Multi CAS
No
Molecular Formula
C8H4BrF3N2OS
Molecular Weight
313.100000
Exact Mass
311.917980
SMILES
C1=C(C=C(C2=C1SC(=N2)N)Br)OC(F)(F)F
InChI
InChI=1S/C8H4BrF3N2OS/c9-4-1-3(15-8(10,11)12)2-5-6(4)14-7(13)16-5/h1-2H,(H2,13,14)
InChIKey
UGMJJOPHHBHLNL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
58.42
TPSA
48.14
LogP / Solubility
WLOGP
3.54
MLOGP
3.13
XLogP3
3.9
Consensus LogP
3.52
Log S (ESOL)
-4.36
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.68
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.75
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.12
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)
Acute Toxic
Irritant
Signal
Danger
GHS Hazard Statements
H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]
H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Customers Also Viewed
-
ETHYL 3,5-BIS(TRIFLUOROMETHYL)PHENYL ACETATE
- CAS RN: 144632-97-3
- Product Code: SSC-055847
-
SULFO-N-SUCCINIMIDYL (N-IODOACETYL)AMINOBENZOATE
- CAS RN: 144650-93-1
- Product Code: starshine_CAS144650-93-1
- Purity/Analytical method: >99.0%
-
1-(tert-Butoxycarbonyl)-3-formyl-7-azaindole, 3-Formyl-pyrrolo[2,3-b]pyridine-1-carboxylic acid tert-butyl ester
- CAS RN: 144657-66-9
- Product Code: SSC-055923
-
tert-butyl 3-(chloroMethyl)-1H-pyrrolo[2,3-b]pyridine-1-carboxylate
- CAS RN: 144657-68-1
- Product Code: starshine_CAS144657-68-1
- Purity/Analytical method: >99.0%
-
Benz(g)isoquinoline-5,10-dione, 6,9-bis((2-aminoethyl)amino)-, (2Z)-2- butenedioate (1:2)
- CAS RN: 144675-97-8
- Product Code: starshine_CAS144675-97-8
- Purity/Analytical method: >99.0%
-
2-METHYLAMINO-1-PYRROLIDIN-1-YL-ETHANONE X HCL >98%
- CAS RN: 144685-61-0
- Product Code: starshine_CAS144685-61-0
- Purity/Analytical method: >99.0%
![CAS 144657-66-9 1-(tert-Butoxycarbonyl)-3-formyl-7-azaindole, 3-Formyl-pyrrolo[2,3-b]pyridine-1-carboxylic acid tert-butyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/144657-66-9.gif)
![CAS 144657-68-1 tert-butyl 3-(chloroMethyl)-1H-pyrrolo[2,3-b]pyridine-1-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/144657-68-1.gif)
