CAS RN: 5441-12-3
N-N-BUTYRYL-D-GLUCOSAMINE
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.20250702 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS5441-12-3
- Purity/Analytical Methods: >99.0%
5441-12-3 / N-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]butanamide
Basic Information
CAS
5441-12-3
Multi CAS
Yes
Molecular Formula
C10H19NO6
Molecular Weight
249.260000
Exact Mass
249.121237
InChI
InChI=1S/C10H19NO6/c1-2-3-6(13)11-7-9(15)8(14)5(4-12)17-10(7)16/h5,7-10,12,14-16H,2-4H2,1H3,(H,11,13)/t5-,7-,8-,9-,10?/m1/s1
InChIKey
RPJMPMDUKSRLLF-MEVVYUPBSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.9
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
5
Molar refractivity
56.82
TPSA
119.25
LogP / Solubility
WLOGP
-2.3
MLOGP
-2.02
XLogP3
-0.9
Consensus LogP
-1.74
Log S (ESOL)
0.33
Class (ESOL)
Highly soluble
Log S (Ali)
0.05
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.15
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)
-5.87
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
![CAS 5438-51-7 [4-(cyanomethyl)-2-methoxy-phenyl] acetate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/5438-51-7.gif)
