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CAS 323201-20-3 5,6-DIHYDRO-5-OXO-1,3(4H)-PYRIDINEDICARBOXYLIC ACID, 3-METHYL 1-PHENYL ESTER molecular structure lightbox
CAS RN: 323201-20-3

5,6-DIHYDRO-5-OXO-1,3(4H)-PYRIDINEDICARBOXYLIC ACID, 3-METHYL 1-PHENYL ESTER

  • Product code: SSC-137869
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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 323201-20-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

323201-20-3 / 5-O-methyl 1-O-phenyl 3-oxo-2,4-dihydropyridine-1,5-dicarboxylate

Standard CAS: 323201-20-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
323201-20-3
Multi CAS
No
Molecular Formula
C14H13NO5
Molecular Weight
275.260000
Exact Mass
275.079373
InChI
InChI=1S/C14H13NO5/c1-19-13(17)10-7-11(16)9-15(8-10)14(18)20-12-5-3-2-4-6-12/h2-6,8H,7,9H2,1H3
InChIKey
WTVCGJNYBVFTGD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.21
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
68.9
TPSA
72.91

LogP / Solubility

WLOGP
1.52
MLOGP
1.34
XLogP3
1.2
Consensus LogP
1.35
Log S (ESOL)
-2.59
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.91
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.95
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.32

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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