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CAS 6220-15-1 1-HEXYLPYRIDINIUM CHLORIDE molecular structure lightbox
CAS RN: 6220-15-1

1-HEXYLPYRIDINIUM CHLORIDE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250721 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: starshine_CAS6220-15-1
  • Purity/Analytical Methods: >99.0%
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6220-15-1 / 1-hexylpyridin-1-ium chloride

Standard CAS: 6220-15-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6220-15-1
Multi CAS
Yes
Molecular Formula
C11H18CLN
Molecular Weight
199.720000
Exact Mass
199.112777
InChI
InChI=1S/C11H18N.ClH/c1-2-3-4-6-9-12-10-7-5-8-11-12;/h5,7-8,10-11H,2-4,6,9H2,1H3;1H/q+1;/p-1
InChIKey
JEOSMYVMLZTQOH-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.55
Rotatable bonds
5
H-bond acceptors
1
Molar refractivity
50.78
TPSA
3.88

LogP / Solubility

WLOGP
-0.44
MLOGP
-0.39
XLogP3
-0.44
Consensus LogP
-0.42
Log S (ESOL)
-0.81
Class (ESOL)
Very soluble
Log S (Ali)
-0.88
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.19
Class (SILICOS-IT)
Soluble

ADME

GI absorption
Low
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)
-4.25

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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