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CAS 866156-87-8 1-(3-nitro-2-pyridinyl)-3-azetanecarboxylic acid molecular structure lightbox
CAS RN: 866156-87-8

1-(3-nitro-2-pyridinyl)-3-azetanecarboxylic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250623 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS866156-87-8
  • Purity/Analytical Methods: >99.0%
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866156-87-8 / 1-(3-nitro-2-pyridinyl)azetidine-3-carboxylic acid

Standard CAS: 866156-87-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
866156-87-8
Multi CAS
No
Molecular Formula
C9H9N3O4
Molecular Weight
223.190000
Exact Mass
223.059306
InChI
InChI=1S/C9H9N3O4/c13-9(14)6-4-11(5-6)8-7(12(15)16)2-1-3-10-8/h1-3,6H,4-5H2,(H,13,14)
InChIKey
GRLPBYBNIZQBLL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
54.23
TPSA
96.57

LogP / Solubility

WLOGP
0.51
MLOGP
0.45
XLogP3
0.4
Consensus LogP
0.45
Log S (ESOL)
-1.62
Class (ESOL)
Soluble
Log S (Ali)
-1.76
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.89
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)
-3.72

Drug-likeness / Medicinal Chemistry

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

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