CAS RN: 548-76-5
5,7-dihydroxy-3-(3-hydroxy-4,5-dimethoxyphenyl)-6-methoxy-4-benzopyrone
Product Availability
Choose a grade to view its available package options.
8 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250404 | 100mg | Out of stock | Inquiry | ||
| Batchno.20250212 | 10mg | In stock | Wuhan | Inquiry | |
| Batchno.20250713 | 1mg | In stock | Shanghai, Tianjin | Inquiry | |
| Batchno.20250812 | 25mg | Out of stock | Inquiry | ||
| Batchno.20250416 | 50mg | Out of stock | Inquiry | ||
| Batchno.20250710 | 5mg | In stock | Shanghai, Wuhan | Inquiry |
- Product code: starshine_CAS548-76-5
- Purity/Analytical Methods: >99.0%
548-76-5 / 5,7-dihydroxy-3-(3-hydroxy-4,5-dimethoxyphenyl)-6-methoxychromen-4-one
Basic Information
CAS
548-76-5
Multi CAS
Yes
Molecular Formula
C18H16O8
Molecular Weight
360.300000
Exact Mass
360.084517
InChI
InChI=1S/C18H16O8/c1-23-13-5-8(4-10(19)17(13)24-2)9-7-26-12-6-11(20)18(25-3)16(22)14(12)15(9)21/h4-7,19-20,22H,1-3H3
InChIKey
TUGWPJJTQNLKCL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
16
Fraction Csp3
0.17
Rotatable bonds
4
H-bond acceptors
8
H-bond donors
3
Molar refractivity
92.57
TPSA
118.59
LogP / Solubility
WLOGP
2.6
MLOGP
2.31
XLogP3
2.6
Consensus LogP
2.5
Log S (ESOL)
-3.9
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.39
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.64
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
Yes
Log Kp (skin permeation)
-3.07
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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