[email protected]
CAS 102816-24-0 2-Deoxy-2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-β-D-glucopyranosyl azide 3,4,6-Triacetate molecular structure lightbox
CAS RN: 102816-24-0

2-Deoxy-2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-β-D-glucopyranosyl azide 3,4,6-Triacetate

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250121 50mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-004160
GET A QUOTE
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: 1g, 5g
  • Available purity: >97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 102816-24-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 0 Out of Stock Shenzhen Inquiry
5g >97% 0 Out of Stock Shanghai Inquiry

102816-24-0 / [3,4-diacetyloxy-6-azido-5-(1,3-dioxoisoindol-2-yl)oxan-2-yl]methyl acetate

3,4,6-Tri-O-acetyl-2-deoxy-2-phthalimido-beta-D-glucopyranosyl azide | C20H20N4O9 | MFCD15145105

Standard CAS: 102816-24-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
102816-24-0
Multi CAS
Yes
Molecular Formula
C20H20N4O9
Molecular Weight
460.400000
Exact Mass
460.123028
SMILES
CC(=O)OCC1C(C(C(C(O1)N=[N+]=[N-])N2C(=O)C3=CC=CC=C3C2=O)OC(=O)C)OC(=O)C
InChI
InChI=1S/C20H20N4O9/c1-9(25)30-8-14-16(31-10(2)26)17(32-11(3)27)15(18(33-14)22-23-21)24-19(28)12-6-4-5-7-13(12)20(24)29/h4-7,14-18H,8H2,1-3H3
InChIKey
UJSZDYIUFXNQKN-UHFFFAOYSA-N
Synonyms
3,4,6-Tri-O-acetyl-2-deoxy-2-phthalimido-beta-D-glucopyranosyl azide C20H20N4O9 MFCD15145105 2-Deoxy-2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-?-D-glucopyranosyl azide 3,4,6-Triacetate UJSZDYIUFXNQKN-DUQPFJRNSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
6
H-bond acceptors
10
Molar refractivity
106.28
TPSA
174.27

LogP / Solubility

WLOGP
1.11
MLOGP
1.01
XLogP3
1.5
Consensus LogP
1.21
Log S (ESOL)
-3.13
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.14
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.3
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.74

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5

Customers Also Viewed

Get In Touch

Contact Us