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CAS 78341-33-0 ISO-PROPYL 2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSIDE molecular structure lightbox
CAS RN: 78341-33-0

ISO-PROPYL 2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSIDE

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250324 100mg / 500mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS78341-33-0
  • Purity/Analytical Methods: >99.0%
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78341-33-0 / N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-propan-2-yloxyoxan-3-yl]acetamide

Standard CAS: 78341-33-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
78341-33-0
Multi CAS
Yes
Molecular Formula
C11H21NO6
Molecular Weight
263.290000
Exact Mass
263.136887
InChI
InChI=1S/C11H21NO6/c1-5(2)17-11-8(12-6(3)14)10(16)9(15)7(4-13)18-11/h5,7-11,13,15-16H,4H2,1-3H3,(H,12,14)/t7-,8-,9-,10-,11-/m1/s1
InChIKey
CSHJQINNMOQHDM-ISUQUUIWSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.91
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
4
Molar refractivity
61.59
TPSA
108.25

LogP / Solubility

WLOGP
-1.64
MLOGP
-1.44
XLogP3
-1.3
Consensus LogP
-1.46
Log S (ESOL)
-0.17
Class (ESOL)
Very soluble
Log S (Ali)
-0.53
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.49
Class (SILICOS-IT)
Very 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)
-5.49

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4

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