CAS RN: 15156-56-6
3-(o-Hydroxyphenyl)-5-phenyl-2-cyclohexen-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.20250924 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS15156-56-6
- Purity/Analytical Methods: >99.0%
15156-56-6 / 3-(2-hydroxyphenyl)-5-phenylcyclohex-2-en-1-one
Basic Information
CAS
15156-56-6
Multi CAS
No
Molecular Formula
C18H16O2
Molecular Weight
264.300000
Exact Mass
264.115030
SMILES
C1C(CC(=O)C=C1C2=CC=CC=C2O)C3=CC=CC=C3
InChI
InChI=1S/C18H16O2/c19-16-11-14(13-6-2-1-3-7-13)10-15(12-16)17-8-4-5-9-18(17)20/h1-9,12,14,20H,10-11H2
InChIKey
LVBFZATWXZBJHG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
79.51
TPSA
37.3
LogP / Solubility
WLOGP
3.92
MLOGP
3.46
XLogP3
3.1
Consensus LogP
3.49
Log S (ESOL)
-4.26
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.56
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.87
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)
-1.55
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Not Classified
Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501
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