CAS RN: 914225-58-4
4-BROMO-3-CHLORO-5-(TRIFLUOROMETHYL)ANILINE
- Product code: SSC-204488
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: ＞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 |
|---|---|---|---|---|
| 5g | ＞95% | 0 Out of Stock | Shenzhen | Inquiry |
914225-58-4 / 4-bromo-3-chloro-5-(trifluoromethyl)aniline
Basic Information
CAS
914225-58-4
Multi CAS
No
Molecular Formula
C7H4BRCLF3N
Molecular Weight
274.460000
Exact Mass
272.916770
InChI
InChI=1S/C7H4BrClF3N/c8-6-4(7(10,11)12)1-3(13)2-5(6)9/h1-2H,13H2
InChIKey
WBGPOJPMDVJESG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
1
H-bond donors
1
Molar refractivity
48.57
TPSA
26.02
LogP / Solubility
WLOGP
3.7
MLOGP
3.27
XLogP3
3.4
Consensus LogP
3.46
Log S (ESOL)
-4.22
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.48
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.52
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.76
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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