CAS RN: 477336-77-9
Dracaenoside F
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20251123 | 1mg | Out of stock | Inquiry |
- Product code: starshine_CAS477336-77-9
- Purity/Analytical Methods: >99.0%
477336-77-9 / 3-(1,3-benzodioxol-5-ylmethyl)-5,7-dihydroxy-6-methyl-4-oxochromene-8-carbaldehyde
Basic Information
CAS
477336-77-9
Multi CAS
No
Molecular Formula
C19H14O7
Molecular Weight
354.300000
Exact Mass
354.073953
InChI
InChI=1S/C19H14O7/c1-9-16(21)12(6-20)19-15(17(9)22)18(23)11(7-24-19)4-10-2-3-13-14(5-10)26-8-25-13/h2-3,5-7,21-22H,4,8H2,1H3
InChIKey
MNAZQDBGIVJQLS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
16
Fraction Csp3
0.16
Rotatable bonds
3
H-bond acceptors
7
H-bond donors
2
Molar refractivity
91.31
TPSA
106.2
LogP / Solubility
WLOGP
2.64
MLOGP
2.35
XLogP3
3.5
Consensus LogP
2.83
Log S (ESOL)
-3.96
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.37
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.52
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)
-3
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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