CAS RN: 581-83-9
1-(4-BIPHENYLYL)-4,4,4-TRIFLUORO-1,3-BUTANEDIONE
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.20260329 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS581-83-9
- Purity/Analytical Methods: >99.0%
581-83-9 / 4,4,4-trifluoro-1-(4-phenylphenyl)butane-1,3-dione
Basic Information
CAS
581-83-9
Multi CAS
Yes
Molecular Formula
C16F3H11O2
Molecular Weight
292.250000
Exact Mass
292.071114
InChI
InChI=1S/C16H11F3O2/c17-16(18,19)15(21)10-14(20)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9H,10H2
InChIKey
ZLQXJKTXGNVKQB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.12
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
71.89
TPSA
34.14
LogP / Solubility
WLOGP
4.06
MLOGP
3.58
XLogP3
4.2
Consensus LogP
3.95
Log S (ESOL)
-4.37
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.89
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.41
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.62
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
-
-
-
4,4,4-TRIFLUORO-1-(4-FLUOROPHENYL)BUTANE-1,3-DIONE
- CAS RN: 582-65-0
- Product Code: SSC-166449
-
-
4′-methylbenzanilide
- CAS RN: 582-78-5
- Product Code: starshine_CAS582-78-5
- Purity/Analytical method: >99.0%
