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CAS 263881-19-2 Ethyl 1-chloro-2,7-naphthyridine-3-carboxylate molecular structure lightbox
CAS RN: 263881-19-2

Ethyl 1-chloro-2,7-naphthyridine-3-carboxylate

  • Product code: SSC-123862
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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: 0.25g
  • 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 263881-19-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

263881-19-2 / ethyl 1-chloro-2,7-naphthyridine-3-carboxylate

Standard CAS: 263881-19-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
263881-19-2
Multi CAS
No
Molecular Formula
C11H9ClN2O2
Molecular Weight
236.650000
Exact Mass
236.035255
SMILES
CCOC(=O)C1=NC(=C2C=NC=CC2=C1)Cl
InChI
InChI=1S/C11H9ClN2O2/c1-2-16-11(15)9-5-7-3-4-13-6-8(7)10(12)14-9/h3-6H,2H2,1H3
InChIKey
OVAAPFCARFNISS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.18
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
60.5
TPSA
52.08

LogP / Solubility

WLOGP
2.46
MLOGP
2.17
XLogP3
2.5
Consensus LogP
2.38
Log S (ESOL)
-3.19
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.28
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.48
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.42

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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