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CAS 253-72-5 1,6-Naphthyridine molecular structure lightbox
CAS RN: 253-72-5

1,6-Naphthyridine

  • Product code: SSC-121156
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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, 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 253-72-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >95% 0 Out of Stock Beijing Inquiry
1g >95% 0 Out of Stock Shanghai Inquiry

253-72-5 / 1,6-naphthyridine

Standard CAS: 253-72-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
253-72-5
Multi CAS
No
Molecular Formula
C8H6N2
Molecular Weight
130.150000
Exact Mass
130.053098
SMILES
C1=CC2=C(C=CN=C2)N=C1
InChI
InChI=1S/C8H6N2/c1-2-7-6-9-5-3-8(7)10-4-1/h1-6H
InChIKey
VSOSXKMEQPYESP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
10
H-bond acceptors
2
Molar refractivity
39.54
TPSA
25.78

LogP / Solubility

WLOGP
1.63
MLOGP
1.43
XLogP3
1.1
Consensus LogP
1.39
Log S (ESOL)
-2.41
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.8
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.86
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.36

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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