CAS RN: 144429-67-4
Aflavarin
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.20260619 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS144429-67-4
- Purity/Analytical Methods: >99.0%
144429-67-4 / 8-[5-(hydroxymethyl)-4,7-dimethoxy-2-oxochromen-3-yl]-4,7-dimethoxy-5-methylchromen-2-one
Basic Information
CAS
144429-67-4
Multi CAS
No
Molecular Formula
C24H22O9
Molecular Weight
454.400000
Exact Mass
454.126382
SMILES
CC1=CC(=C(C2=C1C(=CC(=O)O2)OC)C3=C(C4=C(C=C(C=C4OC3=O)OC)CO)OC)OC
InChI
InChI=1S/C24H22O9/c1-11-6-14(29-3)20(23-18(11)15(30-4)9-17(26)33-23)21-22(31-5)19-12(10-25)7-13(28-2)8-16(19)32-24(21)27/h6-9,25H,10H2,1-5H3
InChIKey
PQHCPIZEGQBDDY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
20
Fraction Csp3
0.25
Rotatable bonds
6
H-bond acceptors
9
H-bond donors
1
Molar refractivity
120.83
TPSA
117.57
LogP / Solubility
WLOGP
3.4
MLOGP
3.02
XLogP3
2.3
Consensus LogP
2.91
Log S (ESOL)
-4.85
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.74
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.16
Class (SILICOS-IT)
Insoluble
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
Yes
Log Kp (skin permeation)
-3.08
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
3
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