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CAS 20972-29-6 Galβ(1-3)GalNAc molecular structure lightbox
CAS RN: 20972-29-6

Galβ(1-3)GalNAc

Product Availability

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260318 1mg In stock Shanghai, Hebei Inquiry
Batchno.20250708 5mg In stock Shanghai Inquiry
  • Product code: SSC-099521
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.01g, 0.1g
  • Available purity: >90%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 20972-29-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.01g >90% 0 Out of Stock Shenzhen Inquiry
0.1g >90% 0 Out of Stock Shanghai Inquiry

20972-29-6 / N-[(3R,4R,5R,6R)-2,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide

Standard CAS: 20972-29-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
20972-29-6
Multi CAS
No
Molecular Formula
C14H25NO11
Molecular Weight
383.350000
Exact Mass
383.142761
SMILES
CC(=O)N[C@@H]1[C@H]([C@H]([C@H](OC1O)CO)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O
InChI
InChI=1S/C14H25NO11/c1-4(18)15-7-12(9(20)6(3-17)24-13(7)23)26-14-11(22)10(21)8(19)5(2-16)25-14/h5-14,16-17,19-23H,2-3H2,1H3,(H,15,18)/t5-,6-,7-,8+,9+,10+,11-,12-,13?,14+/m1/s1
InChIKey
HMQPEDMEOBLSQB-UITYFYQISA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Fraction Csp3
0.93
Rotatable bonds
5
H-bond acceptors
11
H-bond donors
8
Molar refractivity
80.22
TPSA
198.4

LogP / Solubility

WLOGP
-5.25
MLOGP
-4.6
XLogP3
-4.2
Consensus LogP
-4.68
Log S (ESOL)
1.42
Class (ESOL)
Highly soluble
Log S (Ali)
1.09
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.61
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)
-8.79

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
7.5

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