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CAS 15165-79-4 Potassium 1-Naphthaleneacetate molecular structure lightbox
CAS RN: 15165-79-4

Potassium 1-Naphthaleneacetate

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260329 100g In stock Shandong Inquiry
Batchno.20250102 1g In stock Shanghai, Shandong, Guangdong Inquiry
Batchno.20260317 25g In stock Shandong, Guangdong Inquiry
Batchno.20260422 5g In stock Hebei Inquiry
  • Product code: ICTN0006
  • Purity/Analytical Methods: >99.0%(T)
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15165-79-4 / potassium 2-naphthalen-1-ylacetate

Standard CAS: 15165-79-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
15165-79-4
Multi CAS
No
Molecular Formula
C12H9KO2
Molecular Weight
224.300000
Exact Mass
224.023961
SMILES
C1=CC=C2C(=C1)C=CC=C2CC(=O)[O-].[K+]
InChI
InChI=1S/C12H10O2.K/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10;/h1-7H,8H2,(H,13,14);/q;+1/p-1
InChIKey
HPQBUYIHTJNBOM-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
52.66
TPSA
40.13

LogP / Solubility

WLOGP
-1.86
MLOGP
-1.64
XLogP3
-1.86
Consensus LogP
-1.79
Log S (ESOL)
-0.42
Class (ESOL)
Very soluble
Log S (Ali)
-0.05
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.19
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.41

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
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 (100%): 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

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