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CAS 4086-73-1 N-OCTYLPYRIDINIUM CHLORIDE molecular structure lightbox
CAS RN: 4086-73-1

N-OCTYLPYRIDINIUM CHLORIDE

  • Product code: SSC-149247
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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: ＞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 4086-73-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ＞97% 0 Out of Stock Shenzhen Inquiry

4086-73-1 / 1-octylpyridin-1-ium chloride

Standard CAS: 4086-73-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
4086-73-1
Multi CAS
No
Molecular Formula
C13H22CLN
Molecular Weight
227.770000
Exact Mass
227.144077
InChI
InChI=1S/C13H22N.ClH/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14;/h7,9-10,12-13H,2-6,8,11H2,1H3;1H/q+1;/p-1
InChIKey
OVIYAWWBKPWUOH-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
7
H-bond acceptors
1
Molar refractivity
60.01
TPSA
3.88

LogP / Solubility

WLOGP
0.34
MLOGP
0.3
XLogP3
0.34
Consensus LogP
0.33
Log S (ESOL)
-1.3
Class (ESOL)
Soluble
Log S (Ali)
-1.67
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.26
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.87

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

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