[email protected]
CAS 93496-53-8 Fucα(1-2)Galβ(1-3)GlcNAc-β-pNP (=H type 1 β-pNP Glycoside) molecular structure lightbox
CAS RN: 93496-53-8

Fucα(1-2)Galβ(1-3)GlcNAc-β-pNP (=H type 1 β-pNP Glycoside)

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260124 1mg Out of stock 30 business days Inquiry
  • Product code: ICTF0894
GET A QUOTE

93496-53-8 / N-[(2S,5S)-4-[(2R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-2-(4-nitrophenoxy)oxan-3-yl]acetamide

Standard CAS: 93496-53-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
93496-53-8
Multi CAS
Yes
Molecular Formula
C26H38N2O17
Molecular Weight
650.600000
Exact Mass
650.217048
InChI
InChI=1S/C26H38N2O17/c1-9-16(32)19(35)21(37)25(40-9)45-23-20(36)17(33)13(7-29)43-26(23)44-22-15(27-10(2)31)24(42-14(8-30)18(22)34)41-12-5-3-11(4-6-12)28(38)39/h3-6,9,13-26,29-30,32-37H,7-8H2,1-2H3,(H,27,31)/t9-,13?,14?,15?,16?,17-,18+,19?,20?,21-,22?,23?,24+,25?,26-/m0/s1
InChIKey
XJDWEIUSVBUXAA-SGORNEBVSA-N

Computed Properties

Structural Parameters

Heavy atom count
45
Aromatic heavy atom count
6
Fraction Csp3
0.73
Rotatable bonds
10
H-bond acceptors
17
H-bond donors
9
Molar refractivity
142.94
TPSA
289.46

LogP / Solubility

WLOGP
-4.41
MLOGP
-3.82
XLogP3
-3.1
Consensus LogP
-3.78
Log S (ESOL)
-0.54
Class (ESOL)
Very soluble
Log S (Ali)
-1.71
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.43
Class (SILICOS-IT)
Soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-9.82

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

Customers Also Viewed

Get In Touch

Contact Us