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CAS 67776-38-9 METHYL 2,3,4-TRI-O-ACETYL-BETA-D-GLUCOPYRANURONOSYL AZIDE molecular structure lightbox
CAS RN: 67776-38-9

METHYL 2,3,4-TRI-O-ACETYL-BETA-D-GLUCOPYRANURONOSYL AZIDE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260408 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS67776-38-9
  • Purity/Analytical Methods: >99.0%
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67776-38-9 / [(2R,3R,4S,5R,6R)-4,5-diacetyloxy-6-azidooxy-6-hydroxy-2,5-dimethyloxan-3-yl] acetate

Standard CAS: 67776-38-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
67776-38-9
Multi CAS
Yes
Molecular Formula
C13H19N3O9
Molecular Weight
361.300000
Exact Mass
361.112129
InChI
InChI=1S/C13H19N3O9/c1-6-10(21-7(2)17)11(22-8(3)18)12(5,24-9(4)19)13(20,23-6)25-16-15-14/h6,10-11,20H,1-5H3/t6-,10-,11+,12-,13-/m1/s1
InChIKey
BVGGXJNHEBZUAZ-HVWSPFAKSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Fraction Csp3
0.77
Rotatable bonds
5
H-bond acceptors
10
H-bond donors
1
Molar refractivity
77.01
TPSA
166.35

LogP / Solubility

WLOGP
0.48
MLOGP
0.44
XLogP3
1.1
Consensus LogP
0.67
Log S (ESOL)
-2.05
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.87
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.01
Class (SILICOS-IT)
Poorly 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)
-4.58

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

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