CAS RN: 10176-71-3
Scutellarein 4′,7- dimethyl ether
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260403 | 1mg | Out of stock | Inquiry |
- Product code: starshine_CAS10176-71-3
- Purity/Analytical Methods: >99.0%
10176-71-3 / 5,6-dihydroxy-7-methoxy-2-(4-methoxyphenyl)chromen-4-one
ladanein | 5,6-dihydroxy-7-methoxy-2-(4-methoxyphenyl)chromen-4-one | RefChem:924476
Basic Information
CAS
10176-71-3
Multi CAS
No
Molecular Formula
C17H14O6
Molecular Weight
314.290000
Exact Mass
314.079038
SMILES
COC1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)O)O
InChI
InChI=1S/C17H14O6/c1-21-10-5-3-9(4-6-10)12-7-11(18)15-13(23-12)8-14(22-2)16(19)17(15)20/h3-8,19-20H,1-2H3
InChIKey
UUQJTIHOVGMQIH-UHFFFAOYSA-N
Synonyms
ladanein
5,6-dihydroxy-7-methoxy-2-(4-methoxyphenyl)chromen-4-one
RefChem:924476
5,6-Dihydroxy-7-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one
Scutellarein 4',7- dimethyl ether
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
16
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
2
Molar refractivity
84.35
TPSA
89.13
LogP / Solubility
WLOGP
2.89
MLOGP
2.56
XLogP3
2
Consensus LogP
2.48
Log S (ESOL)
-3.93
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.22
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.46
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)
-2.59
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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