CAS RN: 949021-68-5
SodiuM forMononetin-3′-sulfonate
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.20260605 | 5mg / 25mg / 100mg / 500mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS949021-68-5
- Purity/Analytical Methods: >99.0%
949021-68-5 / sodium 5-(7-hydroxy-4-oxochromen-3-yl)-2-methoxybenzenesulfonate
Basic Information
CAS
949021-68-5
Multi CAS
Yes
Molecular Formula
C16H11NAO7S
Molecular Weight
370.300000
Exact Mass
370.012318
InChI
InChI=1S/C16H12O7S.Na/c1-22-13-5-2-9(6-15(13)24(19,20)21)12-8-23-14-7-10(17)3-4-11(14)16(12)18;/h2-8,17H,1H3,(H,19,20,21);/q;+1/p-1
InChIKey
MEFDNOYSDRFHOA-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
16
Fraction Csp3
0.06
Rotatable bonds
3
H-bond acceptors
7
H-bond donors
1
Molar refractivity
84.1
TPSA
116.87
LogP / Solubility
WLOGP
-0.92
MLOGP
-0.79
XLogP3
-0.92
Consensus LogP
-0.88
Log S (ESOL)
-1.83
Class (ESOL)
Soluble
Log S (Ali)
-1.93
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.67
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)
-5.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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