CAS RN: 6301-53-7
3-(4-phenylphenyl)cyclohex-2-en-1-one
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.20260315 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS6301-53-7
- Purity/Analytical Methods: >99.0%
6301-53-7 / 3-(4-phenylphenyl)cyclohex-2-en-1-one
Basic Information
CAS
6301-53-7
Multi CAS
Yes
Molecular Formula
C18H16O
Molecular Weight
248.300000
Exact Mass
248.120115
InChI
InChI=1S/C18H16O/c19-18-8-4-7-17(13-18)16-11-9-15(10-12-16)14-5-2-1-3-6-14/h1-3,5-6,9-13H,4,7-8H2
InChIKey
ZGVFJKHZNHGAFW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
78.71
TPSA
17.07
LogP / Solubility
WLOGP
4.49
MLOGP
3.96
XLogP3
3.7
Consensus LogP
4.05
Log S (ESOL)
-4.54
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.84
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.24
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)
-1.05
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
