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CAS 94825-74-8 2-ACETAMIDO-2-DEOXY-3-O-METHYL-D-GLUCOPYRANOSE molecular structure lightbox
CAS RN: 94825-74-8

2-ACETAMIDO-2-DEOXY-3-O-METHYL-D-GLUCOPYRANOSE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250725 10mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS94825-74-8
  • Purity/Analytical Methods: >99.0%
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94825-74-8 / N-[2,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-3-yl]acetamide

Standard CAS: 94825-74-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
94825-74-8
Multi CAS
Yes
Molecular Formula
C9H17NO6
Molecular Weight
235.230000
Exact Mass
235.105587
InChI
InChI=1S/C9H17NO6/c1-4(12)10-6-8(15-2)7(13)5(3-11)16-9(6)14/h5-9,11,13-14H,3H2,1-2H3,(H,10,12)/t5-,6-,7-,8-,9?/m1/s1
InChIKey
SXGSBXSSPNINRW-VARJHODCSA-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

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