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CAS 13964-23-3 3-AZIDO-3-DEOXY-1,2:5,6-DI-O-ISOPROPYLIDENE-ALPHA-D-GLUCOFURANOSE molecular structure lightbox
CAS RN: 13964-23-3

3-AZIDO-3-DEOXY-1,2:5,6-DI-O-ISOPROPYLIDENE-ALPHA-D-GLUCOFURANOSE

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Batchno.20250917 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS13964-23-3
  • Purity/Analytical Methods: >99.0%
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13964-23-3 / 6-azido-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole

Standard CAS: 13964-23-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
13964-23-3
Multi CAS
No
Molecular Formula
C12H19N3O5
Molecular Weight
285.300000
Exact Mass
285.132471
SMILES
CC1(OCC(O1)C2C(C3C(O2)OC(O3)(C)C)N=[N+]=[N-])C
InChI
InChI=1S/C12H19N3O5/c1-11(2)16-5-6(18-11)8-7(14-15-13)9-10(17-8)20-12(3,4)19-9/h6-10H,5H2,1-4H3
InChIKey
UZVCUNUCGITLER-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
6
Molar refractivity
66.54
TPSA
94.91

LogP / Solubility

WLOGP
1.69
MLOGP
1.5
XLogP3
1.5
Consensus LogP
1.56
Log S (ESOL)
-2.54
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.12
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.16
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
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)
-3.26

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
Yes
Synthetic Accessibility
4

Safety & Transport

Pictogram(s)
Irritant Health Hazard
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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