.gif)
CAS RN: 3946-01-8
METHYL 2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSIDE
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.20250606 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS3946-01-8
- Purity/Analytical Methods: >99.0%
3946-01-8 / N-[4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]acetamide
Basic Information
CAS
3946-01-8
Multi CAS
Yes
Molecular Formula
C9H17NO6
Molecular Weight
235.230000
Exact Mass
235.105587
InChI
InChI=1S/C9H17NO6/c1-4(12)10-6-8(14)7(13)5(3-11)16-9(6)15-2/h5-9,11,13-14H,3H2,1-2H3,(H,10,12)
InChIKey
ZEVOCXOZYFLVKN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.89
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
4
Molar refractivity
52.37
TPSA
108.25
LogP / Solubility
WLOGP
-2.42
MLOGP
-2.13
XLogP3
-2.1
Consensus LogP
-2.22
Log S (ESOL)
0.43
Class (ESOL)
Highly soluble
Log S (Ali)
0.26
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.46
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)
-5.88
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
.gif)
