CAS RN: 97760-87-7
1-(4-amino-3-chloro-5-(trifluoromethyl)phenyl)-2-bromoethanone
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250112 | 10mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS97760-87-7
- Purity/Analytical Methods: >99.0%
97760-87-7 / 1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-bromoethanone
Basic Information
CAS
97760-87-7
Multi CAS
No
Molecular Formula
C9H6BRCLF3NO
Molecular Weight
316.500000
Exact Mass
314.927340
InChI
InChI=1S/C9H6BrClF3NO/c10-3-7(16)4-1-5(9(12,13)14)8(15)6(11)2-4/h1-2H,3,15H2
InChIKey
DELZHBDHJNWKKY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
58.99
TPSA
43.09
LogP / Solubility
WLOGP
3.52
MLOGP
3.11
XLogP3
3.2
Consensus LogP
3.28
Log S (ESOL)
-4.16
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.7
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.88
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.15
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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