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CAS 1124194-67-7 methyl 2-hydroxy-1,7-naphthyridine-3-carboxylate molecular structure lightbox
CAS RN: 1124194-67-7

methyl 2-hydroxy-1,7-naphthyridine-3-carboxylate

  • Product code: SSC-012855
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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: 5g
  • 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 1124194-67-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

1124194-67-7 / methyl 2-oxo-1H-1,7-naphthyridine-3-carboxylate

methyl 2-hydroxy-1,7-naphthyridine-3-carboxylate | methyl2-hydroxy-1,7-naphthyridine-3-carboxylate | methyl 2-oxo-1H-1,7-naphthyridine-3-carboxylate

Standard CAS: 1124194-67-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1124194-67-7
Multi CAS
Yes
Molecular Formula
C10H8N2O3
Molecular Weight
204.180000
Exact Mass
204.053492
SMILES
COC(=O)C1=CC2=C(C=NC=C2)NC1=O
InChI
InChI=1S/C10H8N2O3/c1-15-10(14)7-4-6-2-3-11-5-8(6)12-9(7)13/h2-5H,1H3,(H,12,13)
InChIKey
IBMIAKGHPSCWCZ-UHFFFAOYSA-N
Synonyms
methyl 2-hydroxy-1,7-naphthyridine-3-carboxylate methyl2-hydroxy-1,7-naphthyridine-3-carboxylate methyl 2-oxo-1H-1,7-naphthyridine-3-carboxylate MFCD14156086 Methyl 2-oxo-1,2-dihydro-1,7-naphthyridine-3-carboxylate

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
53.7
TPSA
72.05

LogP / Solubility

WLOGP
0.71
MLOGP
0.63
XLogP3
0.3
Consensus LogP
0.55
Log S (ESOL)
-1.98
Class (ESOL)
Soluble
Log S (Ali)
-1.75
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.7
Class (SILICOS-IT)
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)
-3.46

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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