CAS RN: 341556-86-3
(2E,2E)-3,3-(anthracene-9,10-diyl)diacrylic acid
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250119 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: starshine_CAS341556-86-3
- Purity/Analytical Methods: >99.0%
341556-86-3 / (E)-3-[10-[(E)-2-carboxyethenyl]anthracen-9-yl]prop-2-enoic acid
Basic Information
CAS
341556-86-3
Multi CAS
Yes
Molecular Formula
C20H14O4
Molecular Weight
318.300000
Exact Mass
318.089209
InChI
InChI=1S/C20H14O4/c21-19(22)11-9-17-13-5-1-2-6-14(13)18(10-12-20(23)24)16-8-4-3-7-15(16)17/h1-12H,(H,21,22)(H,23,24)/b11-9+,12-10+
InChIKey
QGJNKGPCTYCXLD-WGDLNXRISA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
14
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
94.79
TPSA
74.6
LogP / Solubility
WLOGP
4.19
MLOGP
3.7
XLogP3
4.9
Consensus LogP
4.26
Log S (ESOL)
-4.62
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.19
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.69
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.69
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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