CAS RN: 890317-92-7
erythro-Guaiacylglycerol beta-coniferyl ether
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.20250625 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS890317-92-7
- Purity/Analytical Methods: >99.0%
890317-92-7 / 1-(4-hydroxy-3-methoxyphenyl)-2-[4-(3-hydroxyprop-1-enyl)-2-methoxyphenoxy]propane-1,3-diol
Basic Information
CAS
890317-92-7
Multi CAS
Yes
Molecular Formula
C20H24O7
Molecular Weight
376.400000
Exact Mass
376.152203
InChI
InChI=1S/C20H24O7/c1-25-17-11-14(6-7-15(17)23)20(24)19(12-22)27-16-8-5-13(4-3-9-21)10-18(16)26-2/h3-8,10-11,19-24H,9,12H2,1-2H3/b4-3+/t19-,20+/m1/s1
InChIKey
FYEZJIXULOZDRT-WGLWSTOQSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.3
Rotatable bonds
9
H-bond acceptors
7
H-bond donors
4
Molar refractivity
100.23
TPSA
108.61
LogP / Solubility
WLOGP
1.89
MLOGP
1.68
XLogP3
1.5
Consensus LogP
1.69
Log S (ESOL)
-3.1
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.01
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.75
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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