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CAS 892501-96-1 5-(4-methylpiperazin-1-yl)picolinic acid molecular structure lightbox
CAS RN: 892501-96-1

5-(4-methylpiperazin-1-yl)picolinic acid

  • Product code: SSC-201136
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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: ＞97%
  • 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 892501-96-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

892501-96-1 / 5-(4-methylpiperazin-1-yl)pyridine-2-carboxylic acid

Standard CAS: 892501-96-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
892501-96-1
Multi CAS
No
Molecular Formula
C11H15N3O2
Molecular Weight
221.260000
Exact Mass
221.116427
InChI
InChI=1S/C11H15N3O2/c1-13-4-6-14(7-5-13)9-2-3-10(11(15)16)12-8-9/h2-3,8H,4-7H2,1H3,(H,15,16)
InChIKey
VBCOICFQWZXXGI-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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