[email protected]
CAS 1083-48-3 4-(4-Nitrobenzyl)pyridine molecular structure lightbox
CAS RN: 1083-48-3

4-(4-Nitrobenzyl)pyridine

Product Availability

Choose a grade to view its available package options.

4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251015 1g In stock Shanghai, Shandong Inquiry
Batchno.20260417 25g In stock Shanghai Inquiry
Batchno.20250111 5g In stock Shanghai, Shandong, Guangdong Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260425 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-009635
GET A QUOTE
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
Request Bulk Quote

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 1083-48-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shanghai Inquiry

1083-48-3 / 4-[(4-nitrophenyl)methyl]pyridine

4-(4-Nitrobenzyl)pyridine | 4-(p-Nitrobenzyl)pyridine | Pyridine, 4-[(4-nitrophenyl)methyl]-

Standard CAS: 1083-48-3 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1083-48-3
Multi CAS
Yes
Molecular Formula
C12H10N2O2
Molecular Weight
214.220000
Exact Mass
214.074228
SMILES
C1=CC(=CC=C1CC2=CC=NC=C2)[N+](=O)[O-]
InChI
InChI=1S/C12H10N2O2/c15-14(16)12-3-1-10(2-4-12)9-11-5-7-13-8-6-11/h1-8H,9H2
InChIKey
MNHKUCBXXMFQDM-UHFFFAOYSA-N
Synonyms
4-(4-Nitrobenzyl)pyridine 4-(p-Nitrobenzyl)pyridine Pyridine, 4-[(4-nitrophenyl)methyl]- gamma-(p-Nitrobenzyl)pyridine Pyridine, 4-((4-nitrophenyl)methyl)-

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
60.14
TPSA
56.03

LogP / Solubility

WLOGP
2.58
MLOGP
2.27
XLogP3
2.7
Consensus LogP
2.52
Log S (ESOL)
-3.15
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.18
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.55
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)
-2.19

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (97.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us