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CAS 50605-09-9 2-ACETAMIDO-2-DEOXY-4,6-O-ISOPROPYLIDENE-D-GLUCOPYRANOSE molecular structure lightbox
CAS RN: 50605-09-9

2-ACETAMIDO-2-DEOXY-4,6-O-ISOPROPYLIDENE-D-GLUCOPYRANOSE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260530 250mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS50605-09-9
  • Purity/Analytical Methods: >99.0%
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50605-09-9 / N-(6,8-dihydroxy-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl)acetamide

Standard CAS: 50605-09-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
50605-09-9
Multi CAS
Yes
Molecular Formula
C11H19NO6
Molecular Weight
261.270000
Exact Mass
261.121237
InChI
InChI=1S/C11H19NO6/c1-5(13)12-7-8(14)9-6(17-10(7)15)4-16-11(2,3)18-9/h6-10,14-15H,4H2,1-3H3,(H,12,13)/t6-,7-,8-,9-,10?/m1/s1
InChIKey
KHSNVBRWHNOPEI-WWGUJXLXSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.91
Rotatable bonds
1
H-bond acceptors
6
H-bond donors
3
Molar refractivity
59.4
TPSA
97.25

LogP / Solubility

WLOGP
-1.28
MLOGP
-1.12
XLogP3
-1.6
Consensus LogP
-1.33
Log S (ESOL)
-0.59
Class (ESOL)
Very soluble
Log S (Ali)
-0.78
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.42
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)
-5.22

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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