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CAS 42373-56-8 4-Azidocoumarin molecular structure lightbox
CAS RN: 42373-56-8

4-Azidocoumarin

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250429 200mg Out of stock 8-10 business days Inquiry
  • Product code: ICTA2758
  • Purity/Analytical Methods: >98.0%(HPLC)
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42373-56-8 / 4-azidochromen-2-one

Standard CAS: 42373-56-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
42373-56-8
Multi CAS
No
Molecular Formula
C9H5N3O2
Molecular Weight
187.150000
Exact Mass
187.038176
InChI
InChI=1S/C9H5N3O2/c10-12-11-7-5-9(13)14-8-4-2-1-3-6(7)8/h1-5H
InChIKey
IUICMSYHSPWQPN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
51.29
TPSA
78.97

LogP / Solubility

WLOGP
2.73
MLOGP
2.41
XLogP3
2.6
Consensus LogP
2.58
Log S (ESOL)
-3.19
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.07
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.27
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.92

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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