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CAS 290300-93-5 2-(4-METHYL-1-PIPERAZINYL)-PYRIDINE-4-CARBOXYLIC ACID ETHYL ESTER molecular structure lightbox
CAS RN: 290300-93-5

2-(4-METHYL-1-PIPERAZINYL)-PYRIDINE-4-CARBOXYLIC ACID ETHYL ESTER

  • Product code: SSC-131203
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 290300-93-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

290300-93-5 / ethyl 2-(4-methylpiperazin-1-yl)pyridine-4-carboxylate

Standard CAS: 290300-93-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
290300-93-5
Multi CAS
No
Molecular Formula
C13H19N3O2
Molecular Weight
249.310000
Exact Mass
249.147727
InChI
InChI=1S/C13H19N3O2/c1-3-18-13(17)11-4-5-14-12(10-11)16-8-6-15(2)7-9-16/h4-5,10H,3,6-9H2,1-2H3
InChIKey
HGMRXLZVAAVHGD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
69.9
TPSA
45.67

LogP / Solubility

WLOGP
1.01
MLOGP
0.89
XLogP3
1.3
Consensus LogP
1.07
Log S (ESOL)
-2.07
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.33
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.48
Class (SILICOS-IT)
Moderately 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)
-3.52

Drug-likeness / Medicinal Chemistry

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

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