![CAS 847239-17-2 3-[4-Hydroxy-3-[5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-3-(pentyloxy)-2-naphthalenyl]phenyl]-2-propenoicacid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/847239-17-2.gif)
CAS RN: 847239-17-2
3-[4-Hydroxy-3-[5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-3-(pentyloxy)-2-naphthalenyl]phenyl]-2-propenoicacid
Product Availability
Choose a grade to view its available package options.
9 package records9 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251107 | 5mg / 10mg / 25mg / 100mg | Confirm by inquiry | Shanghai | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260420 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250601 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20260612 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20251015 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20260609 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20251221 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20260211 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250715 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS847239-17-2
- Purity/Analytical Methods: >99.0%
847239-17-2 / (E)-3-[4-hydroxy-3-(5,5,8,8-tetramethyl-3-pentoxy-6,7-dihydronaphthalen-2-yl)phenyl]prop-2-enoic acid
Basic Information
CAS
847239-17-2
Multi CAS
Yes
Molecular Formula
C28H36O4
Molecular Weight
436.600000
Exact Mass
436.261360
InChI
InChI=1S/C28H36O4/c1-6-7-8-15-32-25-18-23-22(27(2,3)13-14-28(23,4)5)17-21(25)20-16-19(9-11-24(20)29)10-12-26(30)31/h9-12,16-18,29H,6-8,13-15H2,1-5H3,(H,30,31)/b12-10+
InChIKey
APJSHECCIRQQDV-ZRDIBKRKSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
12
Fraction Csp3
0.46
Rotatable bonds
8
H-bond acceptors
3
H-bond donors
2
Molar refractivity
130.52
TPSA
66.76
LogP / Solubility
WLOGP
7.08
MLOGP
6.25
XLogP3
8
Consensus LogP
7.11
Log S (ESOL)
-6.75
Class (ESOL)
Insoluble
Log S (Ali)
-8.25
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.33
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.36
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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![CAS 847416-51-7 CYCLOBUTANECARBOXYLIC ACID, 3-[2-(1,1-DIMETHYLETHOXY)-2-OXOETHYLIDENE]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/847416-51-7.gif)
