CAS RN: 4229-38-3
2-Acetamido-2-deoxy-β-D-glucosylamine
Product Availability
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4 package records3 with current stock2 grade groups
- Product code: starshine_CAS4229-38-3
- Purity/Analytical Methods: >99.0%
4229-38-3 / N-[2-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Basic Information
CAS
4229-38-3
Multi CAS
Yes
Molecular Formula
C8H16N2O5
Molecular Weight
220.220000
Exact Mass
220.105922
InChI
InChI=1S/C8H16N2O5/c1-3(12)10-5-7(14)6(13)4(2-11)15-8(5)9/h4-8,11,13-14H,2,9H2,1H3,(H,10,12)/t4-,5-,6-,7-,8-/m1/s1
InChIKey
MCGXOCXFFNKASF-FMDGEEDCSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.88
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
5
Molar refractivity
49.55
TPSA
125.04
LogP / Solubility
WLOGP
-3.11
MLOGP
-2.74
XLogP3
-2
Consensus LogP
-2.62
Log S (ESOL)
0.89
Class (ESOL)
Highly soluble
Log S (Ali)
0.88
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.25
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)
-6.27
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
