CAS RN: 887268-05-5
1-CHLORO-4-NITRO-2,5-BIS(TRIFLUOROMETHYL)BENZENE
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.20250614 | 100mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS887268-05-5
- Purity/Analytical Methods: >99.0%
887268-05-5 / 1-chloro-4-nitro-2,5-bis(trifluoromethyl)benzene
Basic Information
CAS
887268-05-5
Multi CAS
No
Molecular Formula
C8H2CLF6NO2
Molecular Weight
293.550000
Exact Mass
292.967825
InChI
InChI=1S/C8H2ClF6NO2/c9-5-1-4(8(13,14)15)6(16(17)18)2-3(5)7(10,11)12/h1-2H
InChIKey
KHICYKUYUSBTQU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
48.11
TPSA
43.14
LogP / Solubility
WLOGP
4.29
MLOGP
3.78
XLogP3
4.1
Consensus LogP
4.06
Log S (ESOL)
-4.54
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.06
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.25
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)
-1.47
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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