CAS RN: 944824-29-7
Isodaphnoretin B
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250816 | 5mg | Out of stock | Inquiry |
- Product code: starshine_CAS944824-29-7
- Purity/Analytical Methods: >99.0%
944824-29-7 / 7-hydroxy-5,6-dimethoxy-3-(2-oxochromen-7-yl)oxychromen-2-one
Basic Information
CAS
944824-29-7
Multi CAS
No
Molecular Formula
C20H14O8
Molecular Weight
382.300000
Exact Mass
382.068867
InChI
InChI=1S/C20H14O8/c1-24-18-12-8-16(20(23)28-15(12)9-13(21)19(18)25-2)26-11-5-3-10-4-6-17(22)27-14(10)7-11/h3-9,21H,1-2H3
InChIKey
UKSJYKPMAYMIRA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
20
Fraction Csp3
0.1
Rotatable bonds
4
H-bond acceptors
8
H-bond donors
1
Molar refractivity
99.81
TPSA
108.34
LogP / Solubility
WLOGP
3.41
MLOGP
3.03
XLogP3
3.2
Consensus LogP
3.21
Log S (ESOL)
-4.63
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.16
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.46
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
Yes
Log Kp (skin permeation)
-2.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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