CAS RN: 959417-21-1
4-Hydroxyalternariol
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.20250820 | 1mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS959417-21-1
- Purity/Analytical Methods: >99.0%
959417-21-1 / 3,4,7,9-tetrahydroxy-1-methylbenzo[c]chromen-6-one
Basic Information
CAS
959417-21-1
Multi CAS
No
Molecular Formula
C14H10O6
Molecular Weight
274.220000
Exact Mass
274.047738
InChI
InChI=1S/C14H10O6/c1-5-2-9(17)12(18)13-10(5)7-3-6(15)4-8(16)11(7)14(19)20-13/h2-4,15-18H,1H3
InChIKey
LZRNPNMGYBWDKK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
14
Fraction Csp3
0.07
H-bond acceptors
6
H-bond donors
4
Molar refractivity
71.39
TPSA
111.13
LogP / Solubility
WLOGP
2.08
MLOGP
1.84
XLogP3
2.5
Consensus LogP
2.14
Log S (ESOL)
-3.37
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.31
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.17
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)
-2.92
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
1.5
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