![CAS 57668-61-8 1,1′-(4-bromobutylidene)bis[4-fluorobenzene] molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/57668-61-8.gif)
CAS RN: 57668-61-8
1,1′-(4-bromobutylidene)bis[4-fluorobenzene]
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260119 | 1mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS57668-61-8
- Purity/Analytical Methods: >99.0%
57668-61-8 / 1-[4-bromo-1-(4-fluorophenyl)butyl]-4-fluorobenzene
Basic Information
CAS
57668-61-8
Multi CAS
Yes
Molecular Formula
BC16H15Rf2
Molecular Weight
325.190000
Exact Mass
324.032520
InChI
InChI=1S/C16H15BrF2/c17-11-1-2-16(12-3-7-14(18)8-4-12)13-5-9-15(19)10-6-13/h3-10,16H,1-2,11H2
InChIKey
AJHQYQYRIDMWON-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
77.67
TPSA
0.0000
LogP / Solubility
WLOGP
5.27
MLOGP
4.65
XLogP3
5.3
Consensus LogP
5.07
Log S (ESOL)
-5.31
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.03
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.75
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.96
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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