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CAS 1379181-19-7 1-(Carboxymethyl)-2-Oxo-1,2-Dihydropyridine-3-Carboxylic Acid molecular structure lightbox
CAS RN: 1379181-19-7

1-(Carboxymethyl)-2-Oxo-1,2-Dihydropyridine-3-Carboxylic Acid

  • Product code: SSC-047665
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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 1379181-19-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1379181-19-7 / 1-(carboxymethyl)-2-oxopyridine-3-carboxylic acid

Standard CAS: 1379181-19-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1379181-19-7
Multi CAS
No
Molecular Formula
C8H7NO5
Molecular Weight
197.140000
Exact Mass
197.032422
SMILES
C1=CN(C(=O)C(=C1)C(=O)O)CC(=O)O
InChI
InChI=1S/C8H7NO5/c10-6(11)4-9-3-1-2-5(7(9)12)8(13)14/h1-3H,4H2,(H,10,11)(H,13,14)
InChIKey
SZMOLGWQLGATQZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
45.3
TPSA
96.6

LogP / Solubility

WLOGP
-0.37
MLOGP
-0.32
XLogP3
0.3
Consensus LogP
-0.13
Log S (ESOL)
-0.95
Class (ESOL)
Very soluble
Log S (Ali)
-0.91
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.18

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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