![CAS 196961-43-0 3-[4-Hydroxy-3-(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)phenyl]-2-propenoicacid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/196961-43-0.gif)
CAS RN: 196961-43-0
3-[4-Hydroxy-3-(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)phenyl]-2-propenoicacid
Product Availability
Choose a grade to view its available package options.
12 package records12 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250522 | 5mg / 25mg | Confirm by inquiry | Shanghai | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260622 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20260510 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20260412 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20251213 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20260207 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20260318 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS196961-43-0
- Purity/Analytical Methods: >99.0%
196961-43-0 / (E)-3-[4-hydroxy-3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]prop-2-enoic acid
Basic Information
CAS
196961-43-0
Multi CAS
No
Molecular Formula
C24H28O3
Molecular Weight
364.500000
Exact Mass
364.203845
SMILES
CC1=CC2=C(C=C1C3=C(C=CC(=C3)/C=C/C(=O)O)O)C(CCC2(C)C)(C)C
InChI
InChI=1S/C24H28O3/c1-15-12-19-20(24(4,5)11-10-23(19,2)3)14-17(15)18-13-16(6-8-21(18)25)7-9-22(26)27/h6-9,12-14,25H,10-11H2,1-5H3,(H,26,27)/b9-7+
InChIKey
DYLLZSVPAUUSSB-VQHVLOKHSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.38
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
110.24
TPSA
57.53
LogP / Solubility
WLOGP
5.81
MLOGP
5.14
XLogP3
6.6
Consensus LogP
5.85
Log S (ESOL)
-5.89
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.75
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.22
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)
-0.82
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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