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CAS 214699-24-8 6-Benzyl-3-nitro-5,6,7,8-tetrahydro-1,6-naphthyridine molecular structure lightbox
CAS RN: 214699-24-8

6-Benzyl-3-nitro-5,6,7,8-tetrahydro-1,6-naphthyridine

  • Product code: SSC-102924
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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 214699-24-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

214699-24-8 / 6-benzyl-3-nitro-7,8-dihydro-5H-1,6-naphthyridine

Standard CAS: 214699-24-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
214699-24-8
Multi CAS
No
Molecular Formula
C15H15N3O2
Molecular Weight
269.300000
Exact Mass
269.116427
SMILES
C1CN(CC2=C1N=CC(=C2)[N+](=O)[O-])CC3=CC=CC=C3
InChI
InChI=1S/C15H15N3O2/c19-18(20)14-8-13-11-17(7-6-15(13)16-9-14)10-12-4-2-1-3-5-12/h1-5,8-9H,6-7,10-11H2
InChIKey
ADYNDFLTYRSRDW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.27
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
75.15
TPSA
59.27

LogP / Solubility

WLOGP
2.55
MLOGP
2.25
XLogP3
2.1
Consensus LogP
2.3
Log S (ESOL)
-3.36
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.61
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.89
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.55

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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