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CAS 76204-02-9 4-Methylumbelliferyl-N-acetyl-α-D-neuraminic Acid Sodium Salt molecular structure lightbox
CAS RN: 76204-02-9

4-Methylumbelliferyl-N-acetyl-α-D-neuraminic Acid Sodium Salt

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250304 1mg / 5mg / 25mg / 100mg Confirm by inquiry Shanghai, Hebei, Shandong Inquiry
  • Product code: SSC-185644
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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: 0.1g
  • Available purity: >95%
  • 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 76204-02-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 0 Out of Stock Shenzhen Inquiry

76204-02-9 / sodium 5-acetamido-4-hydroxy-2-(4-methyl-2-oxochromen-7-yl)oxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylate

Standard CAS: 76204-02-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
76204-02-9
Multi CAS
Yes
Molecular Formula
C21H24NNAO11
Molecular Weight
489.400000
Exact Mass
489.124705
InChI
InChI=1S/C21H25NO11.Na/c1-9-5-16(27)31-15-6-11(3-4-12(9)15)32-21(20(29)30)7-13(25)17(22-10(2)24)19(33-21)18(28)14(26)8-23;/h3-6,13-14,17-19,23,25-26,28H,7-8H2,1-2H3,(H,22,24)(H,29,30);/q;+1/p-1
InChIKey
NNNXBDLJYKMDAI-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
10
Fraction Csp3
0.48
Rotatable bonds
7
H-bond acceptors
11
H-bond donors
5
Molar refractivity
107.79
TPSA
198.82

LogP / Solubility

WLOGP
-5.7
MLOGP
-4.98
XLogP3
-5.7
Consensus LogP
-5.46
Log S (ESOL)
0.96
Class (ESOL)
Highly soluble
Log S (Ali)
0.54
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.05
Class (SILICOS-IT)
Highly 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)
-9.75

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5

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