CAS RN: 1296149-08-0
GLUCOSAMINE SULFATE POTASSIUM CHLORIDE
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.20250613 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1296149-08-0
- Purity/Analytical Methods: >99.0%
1296149-08-0 / dipotassium;bis((2R,3R,4S,5R)-2-amino-3,4,5,6-tetrahydroxyhexanal);sulfuric acid;dichloride
Basic Information
CAS
1296149-08-0
Multi CAS
No
Molecular Formula
C12H28Cl2K2N2O14S
Molecular Weight
605.500000
Exact Mass
603.991243
SMILES
C([C@H]([C@H]([C@@H]([C@H](C=O)N)O)O)O)O.C([C@H]([C@H]([C@@H]([C@H](C=O)N)O)O)O)O.OS(=O)(=O)O.[Cl-].[Cl-].[K+].[K+]
InChI
InChI=1S/2C6H13NO5.2ClH.2K.H2O4S/c2*7-3(1-8)5(11)6(12)4(10)2-9;;;;;1-5(2,3)4/h2*1,3-6,9-12H,2,7H2;2*1H;;;(H2,1,2,3,4)/q;;;;2*+1;/p-2/t2*3-,4+,5+,6+;;;;;/m00...../s1
InChIKey
ZGYRLIPOHALCCV-VQRMJQQYSA-L
Computed Properties
Structural Parameters
Heavy atom count
33
Fraction Csp3
0.83
Rotatable bonds
10
H-bond acceptors
14
H-bond donors
12
Molar refractivity
92.47
TPSA
322.62
LogP / Solubility
WLOGP
-19.46
MLOGP
-17.08
XLogP3
-19.46
Consensus LogP
-18.67
Log S (ESOL)
9.33
Class (ESOL)
Highly soluble
Log S (Ali)
9.53
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
11.36
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)
-20.23
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6.5
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