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CAS 15475-14-6 N-PROPIONYL-D-GLUCOSAMINE molecular structure lightbox
CAS RN: 15475-14-6

N-PROPIONYL-D-GLUCOSAMINE

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250310 50mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS15475-14-6
  • Purity/Analytical Methods: >99.0%
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15475-14-6 / N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]propanamide

Standard CAS: 15475-14-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
15475-14-6
Multi CAS
No
Molecular Formula
C9H17NO6
Molecular Weight
235.230000
Exact Mass
235.105587
SMILES
CCC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)CO)O)O
InChI
InChI=1S/C9H17NO6/c1-2-5(12)10-6-8(14)7(13)4(3-11)16-9(6)15/h4,6-9,11,13-15H,2-3H2,1H3,(H,10,12)/t4-,6-,7-,8-,9?/m1/s1
InChIKey
RTEOJYOKWPEKKN-JOHDSVJWSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.89
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
5
Molar refractivity
52.2
TPSA
119.25

LogP / Solubility

WLOGP
-2.69
MLOGP
-2.36
XLogP3
-1.2
Consensus LogP
-2.08
Log S (ESOL)
0.59
Class (ESOL)
Highly soluble
Log S (Ali)
0.45
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.68
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)
-6.06

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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