CAS RN: 916204-15-4
3,5,7-Trihydroxychromone 3-O-β-D-xylopyranoside
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.20251113 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS916204-15-4
- Purity/Analytical Methods: >99.0%
916204-15-4 / 5,7-dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxychromen-4-one
Basic Information
CAS
916204-15-4
Multi CAS
No
Molecular Formula
C14H14O9
Molecular Weight
326.250000
Exact Mass
326.063782
InChI
InChI=1S/C14H14O9/c15-5-1-6(16)10-8(2-5)21-4-9(12(10)19)23-14-13(20)11(18)7(17)3-22-14/h1-2,4,7,11,13-18,20H,3H2/t7-,11+,13-,14+/m1/s1
InChIKey
OZPUECXAPPJJNO-SHNOVCJGSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
10
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
9
H-bond donors
5
Molar refractivity
74.2
TPSA
149.82
LogP / Solubility
WLOGP
-0.98
MLOGP
-0.85
XLogP3
-0.5
Consensus LogP
-0.78
Log S (ESOL)
-1.44
Class (ESOL)
Soluble
Log S (Ali)
-1.53
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.21
Class (SILICOS-IT)
Soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4.5
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