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CAS 1368348-22-4 6-cyclopentyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid molecular structure lightbox
CAS RN: 1368348-22-4

6-cyclopentyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid

  • Product code: SSC-045999
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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 1368348-22-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1368348-22-4 / 2-cyclopentyl-6-oxo-1H-pyridine-4-carboxylic acid

Standard CAS: 1368348-22-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1368348-22-4
Multi CAS
No
Molecular Formula
C11H13NO3
Molecular Weight
207.230000
Exact Mass
207.089543
SMILES
C1CCC(C1)C2=CC(=CC(=O)N2)C(=O)O
InChI
InChI=1S/C11H13NO3/c13-10-6-8(11(14)15)5-9(12-10)7-3-1-2-4-7/h5-7H,1-4H2,(H,12,13)(H,14,15)
InChIKey
ZWGYOHPDCCVFIQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
55.23
TPSA
70.16

LogP / Solubility

WLOGP
1.73
MLOGP
1.52
XLogP3
1.1
Consensus LogP
1.45
Log S (ESOL)
-2.38
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.51
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.68
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)
-2.76

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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