CAS RN: 876500-74-2
5-TRIFLUOROMETHOXYBENZOTHIAZOLE
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.20260615 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS876500-74-2
- Purity/Analytical Methods: >99.0%
876500-74-2 / 5-(trifluoromethoxy)-1,3-benzothiazole
Basic Information
CAS
876500-74-2
Multi CAS
No
Molecular Formula
C8F3H4NOS
Molecular Weight
219.190000
Exact Mass
218.996569
InChI
InChI=1S/C8H4F3NOS/c9-8(10,11)13-5-1-2-7-6(3-5)12-4-14-7/h1-4H
InChIKey
KUZWMMJBAFVTFG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
46.3
TPSA
22.12
LogP / Solubility
WLOGP
3.19
MLOGP
2.81
XLogP3
3.2
Consensus LogP
3.07
Log S (ESOL)
-3.62
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.66
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.86
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)
-1.79
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
3-(2-OXO-1,3-OXAZOLIDIN-3-YL)PROPANOIC ACID
- CAS RN: 876506-51-3
- Product Code: starshine_CAS876506-51-3
- Purity/Analytical method: >99.0%
-
3-CHLOROMETHYL-PYRROLIDINE
- CAS RN: 876509-14-7
- Product Code: starshine_CAS876509-14-7
- Purity/Analytical method: >99.0%
-
(2R)-rel-6-Fluoro-3,4-dihydro-2-(2R)-2-oxiranyl-2H-1-benzopyran
- CAS RN: 876514-31-7
- Product Code: starshine_CAS876514-31-7
- Purity/Analytical method: >99.0%
-
N-(3-fluoro-4-methylphenyl)-4-methyl-benzenesulfonamide（WS203348）
- CAS RN: 876556-75-1
- Product Code: starshine_CAS876556-75-1
- Purity/Analytical method: >99.0%
-
tert-Butyl 3-(chloroMethyl)azetidine-1-carboxylate
- CAS RN: 876589-20-7
- Product Code: SSC-197851
-
tert-Butyl 4-(2-(aminomethyl)-1H-benzo[d]imidazol-1-yl)piperidine-1-carboxylate
- CAS RN: 876589-26-3
- Product Code: starshine_CAS876589-26-3
- Purity/Analytical method: >99.0%
![CAS 876589-26-3 tert-Butyl 4-(2-(aminomethyl)-1H-benzo[d]imidazol-1-yl)piperidine-1-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/876589-26-3.gif)