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CAS 1448314-31-5 Neutrophil Elastase Inhibitor molecular structure lightbox
CAS RN: 1448314-31-5

Neutrophil Elastase Inhibitor

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2 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260630 10mg Out of stock Inquiry
Batchno.20250910 5mg Out of stock Inquiry
  • Product code: starshine_CAS1448314-31-5
  • Purity/Analytical Methods: >99.0%
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1448314-31-5 / 1-(3-methylbenzoyl)indazole-3-carbonitrile

Standard CAS: 1448314-31-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1448314-31-5
Multi CAS
No
Molecular Formula
C16H11N3O
Molecular Weight
261.280000
Exact Mass
261.090212
SMILES
CC1=CC(=CC=C1)C(=O)N2C3=CC=CC=C3C(=N2)C#N
InChI
InChI=1S/C16H11N3O/c1-11-5-4-6-12(9-11)16(20)19-15-8-3-2-7-13(15)14(10-17)18-19/h2-9H,1H3
InChIKey
KRFSMLDUZFVINX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
15
Fraction Csp3
0.06
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
75.36
TPSA
58.68

LogP / Solubility

WLOGP
2.9
MLOGP
2.56
XLogP3
3.5
Consensus LogP
2.99
Log S (ESOL)
-3.78
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.8
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.89
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.25

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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