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CAS 4350-41-8 2-(4-Chlorobenzyl)pyridine molecular structure lightbox
CAS RN: 4350-41-8

2-(4-Chlorobenzyl)pyridine

  • Product code: SSC-151691
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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: 10g
  • Available purity: ≥98%
  • 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 4350-41-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥98% 0 Out of Stock Shanghai Inquiry

4350-41-8 / 2-[(4-chlorophenyl)methyl]pyridine

Standard CAS: 4350-41-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4350-41-8
Multi CAS
Yes
Molecular Formula
C12H10CLN
Molecular Weight
203.670000
Exact Mass
203.050177
InChI
InChI=1S/C12H10ClN/c13-11-6-4-10(5-7-11)9-12-3-1-2-8-14-12/h1-8H,9H2
InChIKey
XSVWMIMFDMJQRL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
58.5
TPSA
12.89

LogP / Solubility

WLOGP
3.33
MLOGP
2.93
XLogP3
3.4
Consensus LogP
3.22
Log S (ESOL)
-3.7
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.63
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.98
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)
-1.6

Drug-likeness / Medicinal Chemistry

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

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