CAS RN: 666250-52-8
2′,4′-Dihydroxy-3,7′:4,8′-diepoxylign-7-ene
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.20251004 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS666250-52-8
- Purity/Analytical Methods: >99.0%
666250-52-8 / 4-[(2S,3S)-2-methyl-6-[(E)-prop-1-enyl]-2,3-dihydro-1,4-benzodioxin-3-yl]benzene-1,3-diol
Basic Information
CAS
666250-52-8
Multi CAS
Yes
Molecular Formula
C18H18O4
Molecular Weight
298.300000
Exact Mass
298.120509
InChI
InChI=1S/C18H18O4/c1-3-4-12-5-8-16-17(9-12)22-18(11(2)21-16)14-7-6-13(19)10-15(14)20/h3-11,18-20H,1-2H3/b4-3+/t11-,18+/m0/s1
InChIKey
ZSFCGNNMMPZMQV-SBBBXNJMSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
84.38
TPSA
58.92
LogP / Solubility
WLOGP
4.03
MLOGP
3.56
XLogP3
3.9
Consensus LogP
3.83
Log S (ESOL)
-4.5
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.92
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.19
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.68
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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