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CAS 55682-48-9 1,6-Anhydro-2-azido-2-deoxy-3,4-bis-O-(phenylmethyl)-beta-D-glucopyranose molecular structure lightbox
CAS RN: 55682-48-9

1,6-Anhydro-2-azido-2-deoxy-3,4-bis-O-(phenylmethyl)-beta-D-glucopyranose

  • Product code: SSC-163599
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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, 0.25g, 1g, 5g
  • Available purity: >97%
  • 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 55682-48-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 0 Out of Stock Hong Kong Inquiry
0.25g >97% 0 Out of Stock Shenzhen Inquiry
1g >97% 0 Out of Stock Beijing Inquiry
5g >97% 0 Out of Stock Hong Kong Inquiry

55682-48-9 / (1R,2S,3R,4R,5R)-4-azido-2,3-bis(phenylmethoxy)-6,8-dioxabicyclo[3.2.1]octane

Standard CAS: 55682-48-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
55682-48-9
Multi CAS
Yes
Molecular Formula
C20H21N3O4
Molecular Weight
367.400000
Exact Mass
367.153206
InChI
InChI=1S/C20H21N3O4/c21-23-22-17-19(25-12-15-9-5-2-6-10-15)18(16-13-26-20(17)27-16)24-11-14-7-3-1-4-8-14/h1-10,16-20H,11-13H2/t16-,17-,18-,19-,20-/m1/s1
InChIKey
WGZHSGODUTUPCP-LASHMREHSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.4
Rotatable bonds
7
H-bond acceptors
5
Molar refractivity
97.59
TPSA
85.68

LogP / Solubility

WLOGP
3.59
MLOGP
3.18
XLogP3
3.5
Consensus LogP
3.42
Log S (ESOL)
-4.25
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.17
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.87
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.41

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7.5

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