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CAS 104373-85-5 2-(4-pyridin-2-ylpiperazin-1-yl)propanoic acid molecular structure lightbox
CAS RN: 104373-85-5

2-(4-pyridin-2-ylpiperazin-1-yl)propanoic acid

  • Product code: SSC-006141
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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: 4
  • 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 104373-85-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Shanghai Inquiry
0.25g >95% 1 In Stock Shanghai Inquiry
1g >95% 1 In Stock Hong Kong Inquiry
5g >95% 1 In Stock Beijing Inquiry

104373-85-5 / 3-(4-pyridin-2-ylpiperazin-1-yl)propanoic acid

2-(4-pyridin-2-ylpiperazin-1-yl)propanoic acid | 2-[4-(pyridin-2-yl)piperazin-1-yl]propanoic acid | SCHEMBL11063217

Standard CAS: 104373-85-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
104373-85-5
Multi CAS
Yes
Molecular Formula
C12H17N3O2
Molecular Weight
235.280000
Exact Mass
235.132077
SMILES
C1CN(CCN1CCC(=O)O)C2=CC=CC=N2
InChI
InChI=1S/C12H17N3O2/c16-12(17)4-6-14-7-9-15(10-8-14)11-3-1-2-5-13-11/h1-3,5H,4,6-10H2,(H,16,17)
InChIKey
XQYZTEXKRYMSQG-UHFFFAOYSA-N
Synonyms
2-(4-pyridin-2-ylpiperazin-1-yl)propanoic acid 2-[4-(pyridin-2-yl)piperazin-1-yl]propanoic acid SCHEMBL11063217 AKOS009120017 F1908-1833

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
65.14
TPSA
56.67

LogP / Solubility

WLOGP
0.68
MLOGP
0.6
XLogP3
-1.3
Consensus LogP
-0.01
Log S (ESOL)
-1.72
Class (ESOL)
Soluble
Log S (Ali)
-1.98
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.23
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)
-3.67

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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