CAS RN: 77836-86-3
O-geranylsinapyl alcohol
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.20260520 | 1mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS77836-86-3
- Purity/Analytical Methods: >99.0%
77836-86-3 / 3-[4-(3,7-dimethylocta-2,6-dienoxy)-3,5-dimethoxyphenyl]prop-2-en-1-ol
Basic Information
CAS
77836-86-3
Multi CAS
Yes
Molecular Formula
C21H30O4
Molecular Weight
346.500000
Exact Mass
346.214409
InChI
InChI=1S/C21H30O4/c1-16(2)8-6-9-17(3)11-13-25-21-19(23-4)14-18(10-7-12-22)15-20(21)24-5/h7-8,10-11,14-15,22H,6,9,12-13H2,1-5H3/b10-7+,17-11+
InChIKey
MWNIFFJAKKQUJF-NRHDHWSESA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
10
H-bond acceptors
4
H-bond donors
1
Molar refractivity
103.58
TPSA
47.92
LogP / Solubility
WLOGP
4.78
MLOGP
4.22
XLogP3
4.9
Consensus LogP
4.63
Log S (ESOL)
-4.52
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.85
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.08
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.44
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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- Product Code: starshine_CAS77858-21-0
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