CAS RN: 694514-19-7
2-BROMO-5-METHOXY-4-(TRIFLUOROMETHYL)ANILINE
- Product code: SSC-179151
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.25g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
694514-19-7 / 2-bromo-5-methoxy-4-(trifluoromethyl)aniline
Basic Information
CAS
694514-19-7
Multi CAS
No
Molecular Formula
BC8H7NORf3
Molecular Weight
270.050000
Exact Mass
268.966310
InChI
InChI=1S/C8H7BrF3NO/c1-14-7-3-6(13)5(9)2-4(7)8(10,11)12/h2-3H,13H2,1H3
InChIKey
NUFDHHXRRSOFSF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
50.11
TPSA
35.25
LogP / Solubility
WLOGP
3.06
MLOGP
2.7
XLogP3
2.8
Consensus LogP
2.85
Log S (ESOL)
-3.69
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.98
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.07
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 694520-55-3 1-[(4R)-4-(phenylMethyl)-2-thioxo-3-oxazolidinyl]-Ethanone molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
1-[(4R)-4-(phenylMethyl)-2-thioxo-3-oxazolidinyl]-Ethanone
- CAS RN: 694520-55-3
- Product Code: starshine_CAS694520-55-3
- Purity/Analytical method: >99.0%
-
1-[(4S)-4-(phenylMethyl)-2-thioxo-3-oxazolidinyl]-Ethanone
- CAS RN: 694520-56-4
- Product Code: starshine_CAS694520-56-4
- Purity/Analytical method: >99.0%
-
GO 289)
- CAS RN: 694522-87-7
- Product Code: starshine_CAS694522-87-7
- Purity/Analytical method: >99.0%
-
(S)-3-Amino-3-93-hydroxy-phneyl)-propionic acid
- CAS RN: 695149-42-9
- Product Code: starshine_CAS695149-42-9
- Purity/Analytical method: >99.0%
-
R-3,3′-Bis(phenyl)-1,1′-binaphthyl-2,2′-diyl hydrogenphosphate
- CAS RN: 695162-86-8
- Product Code: SSC-179216
-
R-4-oxide-4-hydroxy-2,6-bis(2,4,6-triMethylphenyl)-Dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin
- CAS RN: 695162-87-9
- Product Code: starshine_CAS695162-87-9
- Purity/Analytical method: >99.0%
![CAS 694520-55-3 1-[(4R)-4-(phenylMethyl)-2-thioxo-3-oxazolidinyl]-Ethanone molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/694520-55-3.gif)
![CAS 694520-56-4 1-[(4S)-4-(phenylMethyl)-2-thioxo-3-oxazolidinyl]-Ethanone molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/694520-56-4.gif)
![CAS 695162-87-9 R-4-oxide-4-hydroxy-2,6-bis(2,4,6-triMethylphenyl)-Dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/695162-87-9.gif)