![CAS 99742-05-9 12]-Dehydrogingerdione molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/99742-05-9.gif)
CAS RN: 99742-05-9
12]-Dehydrogingerdione
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.20251024 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS99742-05-9
- Purity/Analytical Methods: >99.0%
99742-05-9 / (1E,3Z)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)hexadeca-1,3-dien-5-one
Basic Information
CAS
99742-05-9
Multi CAS
Yes
Molecular Formula
C23H34O4
Molecular Weight
374.500000
Exact Mass
374.245710
InChI
InChI=1S/C23H34O4/c1-3-4-5-6-7-8-9-10-11-12-20(24)18-21(25)15-13-19-14-16-22(26)23(17-19)27-2/h13-18,25-26H,3-12H2,1-2H3/b15-13+,21-18-
InChIKey
ZYCOECPSUDNTCJ-JHVHLLHZSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
6
Fraction Csp3
0.52
Rotatable bonds
14
H-bond acceptors
4
H-bond donors
2
Molar refractivity
111.26
TPSA
66.76
LogP / Solubility
WLOGP
6.35
MLOGP
5.61
XLogP3
7.4
Consensus LogP
6.45
Log S (ESOL)
-5.4
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.21
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.04
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.5
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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