CAS RN: 58189-74-5
1-O-METHYL-BETA-D-GLUCURONIC ACID, SODIUM SALT
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.20250412 | 100mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS58189-74-5
- Purity/Analytical Methods: >99.0%
58189-74-5 / sodium (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-methoxyoxane-2-carboxylate
Basic Information
CAS
58189-74-5
Multi CAS
Yes
Molecular Formula
C7H11NAO7
Molecular Weight
230.150000
Exact Mass
230.040247
InChI
InChI=1S/C7H12O7.Na/c1-13-7-4(10)2(8)3(9)5(14-7)6(11)12;/h2-5,7-10H,1H3,(H,11,12);/q;+1/p-1/t2-,3-,4+,5-,7+;/m0./s1
InChIKey
MSQCUKVSFZTPPA-UDGZVUODSA-M
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.86
Rotatable bonds
2
H-bond acceptors
7
H-bond donors
3
Molar refractivity
38.7
TPSA
119.28
LogP / Solubility
WLOGP
-6.81
MLOGP
-5.99
XLogP3
-6.81
Consensus LogP
-6.54
Log S (ESOL)
3.15
Class (ESOL)
Highly soluble
Log S (Ali)
3.47
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
4.25
Class (SILICOS-IT)
Highly 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)
-8.96
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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