CAS RN: 213203-65-7
3-FLUORO-4-(TRIFLUOROMETHYL)BENZYL BROMIDE
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-101805
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥97% | 0 Out of Stock | Beijing | Inquiry |
213203-65-7 / 4-(bromomethyl)-2-fluoro-1-(trifluoromethyl)benzene
Basic Information
CAS
213203-65-7
Multi CAS
No
Molecular Formula
C8H5BrF4
Molecular Weight
257.020000
Exact Mass
255.951080
SMILES
C1=CC(=C(C=C1CBr)F)C(F)(F)F
InChI
InChI=1S/C8H5BrF4/c9-4-5-1-2-6(7(10)3-5)8(11,12)13/h1-3H,4H2
InChIKey
MOVSRIIBGRAUAF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
44.03
TPSA
0.0000
LogP / Solubility
WLOGP
3.74
MLOGP
3.3
XLogP3
3.5
Consensus LogP
3.51
Log S (ESOL)
-4.06
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.37
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.55
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.63
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
-
![CAS 21320-38-7 4-AMINO-6-(DIMETHYLAMINO)-1,3,5-TRIAZIN-2-YL]ACETONITRILE molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
4-AMINO-6-(DIMETHYLAMINO)-1,3,5-TRIAZIN-2-YL]ACETONITRILE
- CAS RN: 21320-38-7
- Product Code: SSC-101801
-
-
4-Chloro-N,N,6-Trimethyl-1,3,5-Triazin-2-Amine
- CAS RN: 21320-63-8
- Product Code: starshine_CAS21320-63-8
- Purity/Analytical method: >99.0%
-
-
3-BENZYL-3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDIN-7-OL
- CAS RN: 21324-31-2
- Product Code: starshine_CAS21324-31-2
- Purity/Analytical method: >99.0%
-
![CAS 21320-38-7 4-AMINO-6-(DIMETHYLAMINO)-1,3,5-TRIAZIN-2-YL]ACETONITRILE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/21320-38-7.gif)
![CAS 21324-31-2 3-BENZYL-3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDIN-7-OL molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/21324-31-2.gif)
