CAS RN: 261763-10-4
Benzene, 2-(bromomethyl)-4-chloro-3-fluoro-1-(trifluoromethyl)-
Product Availability
Choose a grade to view its available package options.
6 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260302 | 100mg | In stock | Tianjin | Inquiry | |
| Batchno.20250131 | 1g | In stock | Tianjin | Inquiry | |
| Batchno.20251126 | 250mg | In stock | Shanghai, Tianjin | Inquiry | |
| Batchno.20250919 | 25mg | Out of stock | Inquiry | ||
| Batchno.20250606 | 25mg / 50mg / 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20250518 | 50mg | In stock | Tianjin | Inquiry |
- Product code: starshine_CAS261763-10-4
- Purity/Analytical Methods: >99.0%
261763-10-4 / 3-(bromomethyl)-1-chloro-2-fluoro-4-(trifluoromethyl)benzene
Basic Information
CAS
261763-10-4
Multi CAS
No
Molecular Formula
C8H4BrClF4
Molecular Weight
291.470000
Exact Mass
289.912100
SMILES
C1=CC(=C(C(=C1C(F)(F)F)CBr)F)Cl
InChI
InChI=1S/C8H4BrClF4/c9-3-4-5(8(12,13)14)1-2-6(10)7(4)11/h1-2H,3H2
InChIKey
NDKCGHLFWAVIFL-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
4
Molar refractivity
49.04
TPSA
0.0000
LogP / Solubility
WLOGP
4.39
MLOGP
3.88
XLogP3
4.1
Consensus LogP
4.12
Log S (ESOL)
-4.67
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.12
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.32
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)
-1.38
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
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