CAS RN: 889459-13-6
1-BroMo-4-fluoro-2-nitro-5-(trifluoroMethyl)benzene
- Product code: SSC-200659
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: 1g
- Available purity: ＞95%
- 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 |
|---|---|---|---|---|
| 1g | ＞95% | 0 Out of Stock | Shenzhen | Inquiry |
889459-13-6 / 1-bromo-4-fluoro-2-nitro-5-(trifluoromethyl)benzene
Basic Information
CAS
889459-13-6
Multi CAS
No
Molecular Formula
BC7H2NO2Rf4
Molecular Weight
287.990000
Exact Mass
286.920500
InChI
InChI=1S/C7H2BrF4NO2/c8-4-1-3(7(10,11)12)5(9)2-6(4)13(14)15/h1-2H
InChIKey
LUJHTOFZEPHSLH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
45.76
TPSA
43.14
LogP / Solubility
WLOGP
3.52
MLOGP
3.1
XLogP3
3.4
Consensus LogP
3.34
Log S (ESOL)
-4.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.46
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.57
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.98
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
(S)-7-Amino-9-methyl-6,7-dihydro-9H-5-oxa-9-aza-benzocyclohepten-8-one
- CAS RN: 889460-62-2
- Product Code: starshine_CAS889460-62-2
- Purity/Analytical method: >99.0%
-
8(S)-HETRE
- CAS RN: 889573-69-7
- Product Code: starshine_CAS889573-69-7
- Purity/Analytical method: >99.0%
-
3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
- CAS RN: 889654-06-2
- Product Code: SSC-200671
-
-
“3-broMo-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid”
- CAS RN: 889658-85-9
- Product Code: SSC-200673
-
3-Methyl-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenol
- CAS RN: 889659-70-5
- Product Code: SSC-200674
![CAS 889658-85-9 “3-broMo-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid” molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/889658-85-9.gif)
![CAS 889659-70-5 3-Methyl-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/889659-70-5.gif)