CAS RN: 7471-73-0
5-Hydroxyxanthotoxin
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260531 | 1mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS7471-73-0
- Purity/Analytical Methods: >99.0%
7471-73-0 / 4-hydroxy-9-methoxyfuro[3,2-g]chromen-7-one
Basic Information
CAS
7471-73-0
Multi CAS
Yes
Molecular Formula
C12H8O5
Molecular Weight
232.190000
Exact Mass
232.037173
InChI
InChI=1S/C12H8O5/c1-15-12-10-7(4-5-16-10)9(14)6-2-3-8(13)17-11(6)12/h2-5,14H,1H3
InChIKey
XPFCGZWOHNGDSP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
13
Fraction Csp3
0.08
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
60.47
TPSA
72.81
LogP / Solubility
WLOGP
2.25
MLOGP
1.99
XLogP3
1.6
Consensus LogP
1.95
Log S (ESOL)
-3.2
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.09
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.16
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.54
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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