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CAS 38029-97-9 2-(4-Methyl-1-piperazinyl)nicotinic acid molecular structure lightbox
CAS RN: 38029-97-9

2-(4-Methyl-1-piperazinyl)nicotinic acid

  • Product code: SSC-145475
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 38029-97-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Hong Kong Inquiry
0.25g >95% 1 In Stock Hong Kong Inquiry
1g >95% 1 In Stock Hong Kong Inquiry
5g >95% 0 Out of Stock Beijing Inquiry

38029-97-9 / 2-(4-methylpiperazin-1-yl)pyridine-3-carboxylic acid

Standard CAS: 38029-97-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
38029-97-9
Multi CAS
No
Molecular Formula
C11H15N3O2
Molecular Weight
221.260000
Exact Mass
221.116427
InChI
InChI=1S/C11H15N3O2/c1-13-5-7-14(8-6-13)10-9(11(15)16)3-2-4-12-10/h2-4H,5-8H2,1H3,(H,15,16)
InChIKey
IKHWOUUYKLSAGZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
60.91
TPSA
56.67

LogP / Solubility

WLOGP
0.53
MLOGP
0.47
XLogP3
-1.6
Consensus LogP
-0.2
Log S (ESOL)
-1.69
Class (ESOL)
Soluble
Log S (Ali)
-1.76
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.78
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)
-3.69

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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