CAS RN: 94483-64-4

AMYL 2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSIDE

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251129 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS94483-64-4
  • Purity/Analytical Methods: >99.0%
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94483-64-4 / N-[4,5-dihydroxy-6-(hydroxymethyl)-2-pentoxyoxan-3-yl]acetamide

Standard CAS: 94483-64-4 Multi CAS: Yes

Basic Information

CAS
94483-64-4
Multi CAS
Yes
Molecular Formula
C13H25NO6
Molecular Weight
291.340000
Exact Mass
291.168188
InChI
InChI=1S/C13H25NO6/c1-3-4-5-6-19-13-10(14-8(2)16)12(18)11(17)9(7-15)20-13/h9-13,15,17-18H,3-7H2,1-2H3,(H,14,16)/t9-,10-,11-,12-,13-/m1/s1
InChIKey
TXAKGSVWAUXDOK-SYLRKERUSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.92
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
4
Molar refractivity
70.84
TPSA
108.25

LogP / Solubility

WLOGP
-0.86
MLOGP
-0.75
XLogP3
-0.3
Consensus LogP
-0.64
Log S (ESOL)
-0.64
Class (ESOL)
Very soluble
Log S (Ali)
-1.33
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.68
Class (SILICOS-IT)
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)
-5.11

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
4

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