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CAS 169151-24-0 Methyl 2-Acetamido-2-deoxy-3-O-(a-L-fucopyranosyl)-b-D-glucopyranoside molecular structure lightbox
CAS RN: 169151-24-0

Methyl 2-Acetamido-2-deoxy-3-O-(a-L-fucopyranosyl)-b-D-glucopyranoside

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250302 1mg In stock Inquiry
Batchno.20251110 5mg In stock Inquiry
  • Product code: starshine_CAS169151-24-0
  • Purity/Analytical Methods: >99.0%
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169151-24-0 / N-[(2R,3R,4R,5S,6R)-5-hydroxy-6-(hydroxymethyl)-2-methoxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamide

Standard CAS: 169151-24-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
169151-24-0
Multi CAS
No
Molecular Formula
C15H27NO10
Molecular Weight
381.380000
Exact Mass
381.163496
SMILES
C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2O)CO)OC)NC(=O)C)O)O)O
InChI
InChI=1S/C15H27NO10/c1-5-9(19)11(21)12(22)15(24-5)26-13-8(16-6(2)18)14(23-3)25-7(4-17)10(13)20/h5,7-15,17,19-22H,4H2,1-3H3,(H,16,18)/t5-,7+,8+,9+,10+,11+,12-,13+,14+,15-/m0/s1
InChIKey
CPKSWFNSVBVTDI-YTHVZAKJSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Fraction Csp3
0.93
Rotatable bonds
5
H-bond acceptors
10
H-bond donors
6
Molar refractivity
83.6
TPSA
167.17

LogP / Solubility

WLOGP
-3.57
MLOGP
-3.12
XLogP3
-3.1
Consensus LogP
-3.26
Log S (ESOL)
0.38
Class (ESOL)
Highly soluble
Log S (Ali)
-0.11
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.23
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)
-7.58

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
7.5

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