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CAS 83440-03-3 N-[2-(ACETOXY)ETHYL]-3-PYRIDINECARBOXAMIDE molecular structure lightbox
CAS RN: 83440-03-3

N-[2-(ACETOXY)ETHYL]-3-PYRIDINECARBOXAMIDE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260217 1mg / 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS83440-03-3
  • Purity/Analytical Methods: >99.0%
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83440-03-3 / 2-(pyridine-3-carbonylamino)ethyl acetate

Standard CAS: 83440-03-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
83440-03-3
Multi CAS
Yes
Molecular Formula
C10H12N2O3
Molecular Weight
208.210000
Exact Mass
208.084792
InChI
InChI=1S/C10H12N2O3/c1-8(13)15-6-5-12-10(14)9-3-2-4-11-7-9/h2-4,7H,5-6H2,1H3,(H,12,14)
InChIKey
JQICNNKLTFYSLS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
53.2
TPSA
68.29

LogP / Solubility

WLOGP
0.37
MLOGP
0.33
XLogP3
0.5
Consensus LogP
0.4
Log S (ESOL)
-1.4
Class (ESOL)
Soluble
Log S (Ali)
-1.54
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.8
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
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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