CAS RN: 78954-23-1
yakuchinone-A
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250420 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250512 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250830 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20251114 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20250127 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20260130 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS78954-23-1
- Purity/Analytical Methods: >99.0%
78954-23-1 / 1-(4-hydroxy-3-methoxyphenyl)-7-phenylheptan-3-one
Basic Information
CAS
78954-23-1
Multi CAS
Yes
Molecular Formula
C20H24O3
Molecular Weight
312.400000
Exact Mass
312.172545
InChI
InChI=1S/C20H24O3/c1-23-20-15-17(12-14-19(20)22)11-13-18(21)10-6-5-9-16-7-3-2-4-8-16/h2-4,7-8,12,14-15,22H,5-6,9-11,13H2,1H3
InChIKey
TXELARZTKDBEKS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.35
Rotatable bonds
9
H-bond acceptors
3
H-bond donors
1
Molar refractivity
91.98
TPSA
46.53
LogP / Solubility
WLOGP
4.32
MLOGP
3.81
XLogP3
3.6
Consensus LogP
3.91
Log S (ESOL)
-4.29
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.24
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.35
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)
-1.56
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
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