CAS RN: 206443-06-3
4-Methylumbelliferylb-D-galactopyranoside-6-sulphatesodiumsalt
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.20260523 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS206443-06-3
- Purity/Analytical Methods: >99.0%
206443-06-3 / sodium [(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(4-methyl-2-oxochromen-7-yl)oxyoxan-2-yl]methyl sulfate
Basic Information
CAS
206443-06-3
Multi CAS
No
Molecular Formula
C16H17NaO11S
Molecular Weight
440.400000
Exact Mass
440.038927
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)COS(=O)(=O)[O-])O)O)O.[Na+]
InChI
InChI=1S/C16H18O11S.Na/c1-7-4-12(17)26-10-5-8(2-3-9(7)10)25-16-15(20)14(19)13(18)11(27-16)6-24-28(21,22)23;/h2-5,11,13-16,18-20H,6H2,1H3,(H,21,22,23);/q;+1/p-1/t11-,13+,14+,15-,16-;/m1./s1
InChIKey
KHTOBGQRIASILC-XNSOHGFJSA-M
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
10
Fraction Csp3
0.44
Rotatable bonds
5
H-bond acceptors
11
H-bond donors
3
Molar refractivity
90.18
TPSA
175.79
LogP / Solubility
WLOGP
-4.23
MLOGP
-3.69
XLogP3
-4.23
Consensus LogP
-4.05
Log S (ESOL)
0.17
Class (ESOL)
Highly soluble
Log S (Ali)
-0.12
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.39
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-8.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
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