CAS RN: 59662-26-9
4-N-HEXANOYLBIPHENYL
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260312 | 1g / 10g / 50g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: starshine_CAS59662-26-9
- Purity/Analytical Methods: >99.0%
59662-26-9 / 1-(4-phenylphenyl)hexan-1-one
Basic Information
CAS
59662-26-9
Multi CAS
No
Molecular Formula
C18H20O
Molecular Weight
252.300000
Exact Mass
252.151415
InChI
InChI=1S/C18H20O/c1-2-3-5-10-18(19)17-13-11-16(12-14-17)15-8-6-4-7-9-15/h4,6-9,11-14H,2-3,5,10H2,1H3
InChIKey
HHVQDDCTUWJMFP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.28
Rotatable bonds
6
H-bond acceptors
1
Molar refractivity
80.35
TPSA
17.07
LogP / Solubility
WLOGP
5.12
MLOGP
4.51
XLogP3
5.5
Consensus LogP
5.04
Log S (ESOL)
-4.7
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.32
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.27
Class (SILICOS-IT)
Insoluble
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)
-0.63
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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