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CAS 1174525-17-7 Methyl 4-hydroxy-1-methyl-6-oxo-1,6-dihydropyridine-3-carboxylate molecular structure lightbox
CAS RN: 1174525-17-7

Methyl 4-hydroxy-1-methyl-6-oxo-1,6-dihydropyridine-3-carboxylate

  • Product code: SSC-017326
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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 1174525-17-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1174525-17-7 / methyl 4-hydroxy-1-methyl-6-oxopyridine-3-carboxylate

methyl 4-hydroxy-1-methyl-6-oxo-1,6-dihydropyridine-3-carboxylate | MFCD27937791 | methyl 4-hydroxy-1-methyl-6-oxopyridine-3-carboxylate

Standard CAS: 1174525-17-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1174525-17-7
Multi CAS
No
Molecular Formula
C8H9NO4
Molecular Weight
183.160000
Exact Mass
183.053158
SMILES
CN1C=C(C(=CC1=O)O)C(=O)OC
InChI
InChI=1S/C8H9NO4/c1-9-4-5(8(12)13-2)6(10)3-7(9)11/h3-4,10H,1-2H3
InChIKey
SFMWGBBONPTXJY-UHFFFAOYSA-N
Synonyms
methyl 4-hydroxy-1-methyl-6-oxo-1,6-dihydropyridine-3-carboxylate MFCD27937791 methyl 4-hydroxy-1-methyl-6-oxopyridine-3-carboxylate SCHEMBL26235469 ZWB52517

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
44.69
TPSA
68.53

LogP / Solubility

WLOGP
-0.12
MLOGP
-0.11
XLogP3
-0.1
Consensus LogP
-0.11
Log S (ESOL)
-1.17
Class (ESOL)
Soluble
Log S (Ali)
-0.97
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.87
Class (SILICOS-IT)
Very 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)
-3.92

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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