CAS RN: 16805-10-0
2-(3,5-Dihydroxy-4-methoxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250307 | 5mg | Out of stock | Inquiry |
- Product code: starshine_CAS16805-10-0
- Purity/Analytical Methods: >99.0%
16805-10-0 / 2-(3,5-dihydroxy-4-methoxyphenyl)-3,5,7-trihydroxychromen-4-one
Basic Information
CAS
16805-10-0
Multi CAS
No
Molecular Formula
C16H12O8
Molecular Weight
332.260000
Exact Mass
332.053217
SMILES
COC1=C(C=C(C=C1O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O
InChI
InChI=1S/C16H12O8/c1-23-16-9(19)2-6(3-10(16)20)15-14(22)13(21)12-8(18)4-7(17)5-11(12)24-15/h2-5,17-20,22H,1H3
InChIKey
HKEQVXVLTOSXLQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
16
Fraction Csp3
0.06
Rotatable bonds
2
H-bond acceptors
8
H-bond donors
5
Molar refractivity
82.8
TPSA
140.59
LogP / Solubility
WLOGP
2
MLOGP
1.77
XLogP3
1.5
Consensus LogP
1.76
Log S (ESOL)
-3.52
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.73
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.72
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.33
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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