CAS RN: 959417-17-5
4-Hydroxyalternariol 9-methyl ether
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260419 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS959417-17-5
- Purity/Analytical Methods: >99.0%
959417-17-5 / 3,4,7-trihydroxy-9-methoxy-1-methylbenzo[c]chromen-6-one
Basic Information
CAS
959417-17-5
Multi CAS
No
Molecular Formula
C15H12O6
Molecular Weight
288.250000
Exact Mass
288.063388
InChI
InChI=1S/C15H12O6/c1-6-3-10(17)13(18)14-11(6)8-4-7(20-2)5-9(16)12(8)15(19)21-14/h3-5,16-18H,1-2H3
InChIKey
BVYAURIYXKOUPX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
14
Fraction Csp3
0.13
Rotatable bonds
1
H-bond acceptors
6
H-bond donors
3
Molar refractivity
76.27
TPSA
100.13
LogP / Solubility
WLOGP
2.38
MLOGP
2.11
XLogP3
2.9
Consensus LogP
2.46
Log S (ESOL)
-3.55
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.64
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.63
Class (SILICOS-IT)
Poorly 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)
-2.79
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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