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CAS 16858-01-8 Tris(2-pyridylmethyl)amine molecular structure lightbox
CAS RN: 16858-01-8

Tris(2-pyridylmethyl)amine

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250405 100g In stock Shanghai Inquiry
Batchno.20251024 10g In stock Shanghai, Shenzhen Inquiry
Batchno.20250924 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250927 25g In stock Shanghai, Shenzhen Inquiry
Batchno.20251109 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
  • Product code: SSC-073444
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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: 5g
  • 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 16858-01-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Beijing Inquiry

16858-01-8 / 1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine

Standard CAS: 16858-01-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
16858-01-8
Multi CAS
No
Molecular Formula
C18H18N4
Molecular Weight
290.400000
Exact Mass
290.153147
SMILES
C1=CC=NC(=C1)CN(CC2=CC=CC=N2)CC3=CC=CC=N3
InChI
InChI=1S/C18H18N4/c1-4-10-19-16(7-1)13-22(14-17-8-2-5-11-20-17)15-18-9-3-6-12-21-18/h1-12H,13-15H2
InChIKey
VGUWFGWZSVLROP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
18
Fraction Csp3
0.17
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
85.66
TPSA
41.91

LogP / Solubility

WLOGP
3.07
MLOGP
2.72
XLogP3
1.6
Consensus LogP
2.46
Log S (ESOL)
-3.79
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.16
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.82
Class (SILICOS-IT)
Slightly 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)
-2.31

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (95.1%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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