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CAS 79733-86-1 2-Deoxy-2-N-phthalimido-1,3,4,6-tetra-O-acetyl-D-glucopyranose molecular structure lightbox
CAS RN: 79733-86-1

2-Deoxy-2-N-phthalimido-1,3,4,6-tetra-O-acetyl-D-glucopyranose

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250407 1g Out of stock 30 business days Inquiry
  • Product code: starshine_CAS79733-86-1
  • Purity/Analytical Methods: >99.0%
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79733-86-1 / [3,4,6-triacetyloxy-5-(1,3-dioxoisoindol-2-yl)oxan-2-yl]methyl acetate

Standard CAS: 79733-86-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
79733-86-1
Multi CAS
Yes
Molecular Formula
C22H23NO11
Molecular Weight
477.400000
Exact Mass
477.127111
InChI
InChI=1S/C22H23NO11/c1-10(24)30-9-16-18(31-11(2)25)19(32-12(3)26)17(22(34-16)33-13(4)27)23-20(28)14-7-5-6-8-15(14)21(23)29/h5-8,16-19,22H,9H2,1-4H3/t16-,17-,18-,19-,22?/m1/s1
InChIKey
DUXJAHFLYZUOPT-SWHXLWHISA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
6
H-bond acceptors
11
Molar refractivity
108.9
TPSA
151.81

LogP / Solubility

WLOGP
0.37
MLOGP
0.36
XLogP3
0.5
Consensus LogP
0.41
Log S (ESOL)
-2.76
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.74
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.79
Class (SILICOS-IT)
Poorly 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)
-5.37

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5

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