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CAS 1210707-88-2 5-(piperidin-1-yl)pyrazine-2-carboxylicacid molecular structure lightbox
CAS RN: 1210707-88-2

5-(piperidin-1-yl)pyrazine-2-carboxylicacid

  • Product code: SSC-022421
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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 1210707-88-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1210707-88-2 / 5-piperidin-1-ylpyrazine-2-carboxylic acid

5-(Piperidin-1-yl)pyrazine-2-carboxylic acid | 5-(1-Piperidinyl)-2-pyrazinecarboxylic acid | 5-piperidin-1-ylpyrazine-2-carboxylic acid

Standard CAS: 1210707-88-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1210707-88-2
Multi CAS
No
Molecular Formula
C10H13N3O2
Molecular Weight
207.230000
Exact Mass
207.100777
SMILES
C1CCN(CC1)C2=NC=C(N=C2)C(=O)O
InChI
InChI=1S/C10H13N3O2/c14-10(15)8-6-12-9(7-11-8)13-4-2-1-3-5-13/h6-7H,1-5H2,(H,14,15)
InChIKey
DXLRZFZELFDDFR-UHFFFAOYSA-N
Synonyms
5-(Piperidin-1-yl)pyrazine-2-carboxylic acid 5-(1-Piperidinyl)-2-pyrazinecarboxylic acid 5-piperidin-1-ylpyrazine-2-carboxylic acid MFCD11109836 5-(1-Piperidyl)pyrazine-2-carboxylic Acid

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
55.06
TPSA
66.32

LogP / Solubility

WLOGP
1.17
MLOGP
1.03
XLogP3
0.9
Consensus LogP
1.03
Log S (ESOL)
-2.02
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.1
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.21
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)
-3.16

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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