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CAS 16375-56-7 4-(1-Naphthylvinyl)pyridine molecular structure lightbox
CAS RN: 16375-56-7

4-(1-Naphthylvinyl)pyridine

  • Product code: SSC-071146
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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: ＞97%
  • 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 16375-56-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

16375-56-7 / 4-[(E)-2-naphthalen-1-ylethenyl]pyridine

Standard CAS: 16375-56-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
16375-56-7
Multi CAS
No
Molecular Formula
C17H13N
Molecular Weight
231.290000
Exact Mass
231.104799
SMILES
C1=CC=C2C(=C1)C=CC=C2/C=C/C3=CC=NC=C3
InChI
InChI=1S/C17H13N/c1-2-7-17-15(4-1)5-3-6-16(17)9-8-14-10-12-18-13-11-14/h1-13H/b9-8+
InChIKey
FLKDRTOVVLNOLV-CMDGGOBGSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
16
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
77.11
TPSA
12.89

LogP / Solubility

WLOGP
4.41
MLOGP
3.88
XLogP3
4.4
Consensus LogP
4.23
Log S (ESOL)
-4.58
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.64
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.06
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant Environmental Hazard
Signal
Warning
GHS Hazard Statements
H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation] H317 (50%): May cause an allergic skin reaction [Warning Sensitization, Skin] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H400 (50%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410 (50%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P261, P264, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, and P501

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