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CAS 53784-33-1 2,3,4-TRI-O-ACETYL-BETA-D-XYLOPYRANOSYL AZIDE molecular structure lightbox
CAS RN: 53784-33-1

2,3,4-TRI-O-ACETYL-BETA-D-XYLOPYRANOSYL AZIDE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250830 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS53784-33-1
  • Purity/Analytical Methods: >99.0%
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53784-33-1 / [(3R,4S,5R,6R)-4,5-diacetyloxy-6-azidooxan-3-yl] acetate

Standard CAS: 53784-33-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
53784-33-1
Multi CAS
Yes
Molecular Formula
C11H15N3O7
Molecular Weight
301.250000
Exact Mass
301.091000
InChI
InChI=1S/C11H15N3O7/c1-5(15)19-8-4-18-11(13-14-12)10(21-7(3)17)9(8)20-6(2)16/h8-11H,4H2,1-3H3/t8-,9+,10-,11-/m1/s1
InChIKey
LMAJKBXVWKPVDF-LMLFDSFASA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Fraction Csp3
0.73
Rotatable bonds
4
H-bond acceptors
8
Molar refractivity
65.55
TPSA
136.89

LogP / Solubility

WLOGP
0.45
MLOGP
0.41
XLogP3
0.8
Consensus LogP
0.55
Log S (ESOL)
-1.73
Class (ESOL)
Soluble
Log S (Ali)
-2.35
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.47
Class (SILICOS-IT)
Moderately 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)
-4.24

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
4.5

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