CAS RN: 55601-60-0
3,5,7-Trihydroxy-8-methoxy-6-methyl-2-phenyl-4H-1-benzopyran-4-one
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260425 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS55601-60-0
- Purity/Analytical Methods: >99.0%
55601-60-0 / 3,5,7-trihydroxy-8-methoxy-6-methyl-2-phenylchromen-4-one
Basic Information
CAS
55601-60-0
Multi CAS
No
Molecular Formula
C17H14O6
Molecular Weight
314.290000
Exact Mass
314.079038
InChI
InChI=1S/C17H14O6/c1-8-11(18)10-13(20)14(21)15(9-6-4-3-5-7-9)23-16(10)17(22-2)12(8)19/h3-7,18-19,21H,1-2H3
InChIKey
YFIWRRATEOOANM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
16
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
3
Molar refractivity
84.2
TPSA
100.13
LogP / Solubility
WLOGP
2.89
MLOGP
2.56
XLogP3
3.2
Consensus LogP
2.88
Log S (ESOL)
-3.99
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.34
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)
-2.58
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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