CAS RN: 97359-75-6
irisone B
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.20250905 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS97359-75-6
- Purity/Analytical Methods: >99.0%
97359-75-6 / 9-hydroxy-7-(2-hydroxyphenyl)-[1,3]dioxolo[4,5-g]chromen-8-one
Basic Information
CAS
97359-75-6
Multi CAS
No
Molecular Formula
C16H10O6
Molecular Weight
298.250000
Exact Mass
298.047738
InChI
InChI=1S/C16H10O6/c17-10-4-2-1-3-8(10)9-6-20-11-5-12-16(22-7-21-12)15(19)13(11)14(9)18/h1-6,17,19H,7H2
InChIKey
ITRQVDOUFMSYII-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
16
Fraction Csp3
0.06
Rotatable bonds
1
H-bond acceptors
6
H-bond donors
2
Molar refractivity
77.37
TPSA
89.13
LogP / Solubility
WLOGP
2.6
MLOGP
2.3
XLogP3
2.8
Consensus LogP
2.57
Log S (ESOL)
-3.8
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.88
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.88
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)
-2.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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