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CAS 1075259-77-6 3-Fluoro-6-Methoxy-[1,5]naphthyridin-4-ol molecular structure lightbox
CAS RN: 1075259-77-6

3-Fluoro-6-Methoxy-[1,5]naphthyridin-4-ol

  • Product code: SSC-009071
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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 1075259-77-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1075259-77-6 / 3-fluoro-6-methoxy-1H-1,5-naphthyridin-4-one

3-fluoro-6-methoxy-1,5-naphthyridin-4-ol | 3-fluoro-6-methoxy-1H-1,5-naphthyridin-4-one | MFCD19440497

Standard CAS: 1075259-77-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1075259-77-6
Multi CAS
No
Molecular Formula
C9H7FN2O2
Molecular Weight
194.160000
Exact Mass
194.049156
SMILES
COC1=NC2=C(C=C1)NC=C(C2=O)F
InChI
InChI=1S/C9H7FN2O2/c1-14-7-3-2-6-8(12-7)9(13)5(10)4-11-6/h2-4H,1H3,(H,11,13)
InChIKey
BZXHFOPWZZWASH-UHFFFAOYSA-N
Synonyms
3-fluoro-6-methoxy-1,5-naphthyridin-4-ol 3-fluoro-6-methoxy-1H-1,5-naphthyridin-4-one MFCD19440497 3-Fluoro-6-(methyloxy)-1,5-naphthyridin-4-ol SCHEMBL2490082

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
48.87
TPSA
54.98

LogP / Solubility

WLOGP
1.07
MLOGP
0.94
XLogP3
1.4
Consensus LogP
1.14
Log S (ESOL)
-2.18
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.93
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.93
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)
-3.14

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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