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CAS 824426-32-6 Azidoacetic acid NHS ester molecular structure lightbox
CAS RN: 824426-32-6

Azidoacetic acid NHS ester

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4 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260225 1g In stock Inquiry
Batchno.20250104 250mg Out of stock Inquiry
Batchno.20250202 50mg Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250303 50mg / 250mg / 1g / 5g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: starshine_CAS824426-32-6
  • Purity/Analytical Methods: >99.0%
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824426-32-6 / (2,5-dioxopyrrolidin-1-yl) 2-azidoacetate

Standard CAS: 824426-32-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
824426-32-6
Multi CAS
No
Molecular Formula
C6H6N4O4
Molecular Weight
198.140000
Exact Mass
198.038905
InChI
InChI=1S/C6H6N4O4/c7-9-8-3-6(13)14-10-4(11)1-2-5(10)12/h1-3H2
InChIKey
FENNDBOWHRZLTQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
41.19
TPSA
112.44

LogP / Solubility

WLOGP
-0.1
MLOGP
-0.08
XLogP3
0.3
Consensus LogP
0.04
Log S (ESOL)
-0.81
Class (ESOL)
Very soluble
Log S (Ali)
-1.12
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.23
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
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

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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