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CAS 1199-65-1 1-Ethyl-4-(methoxycarbonyl)pyridinium Iodide molecular structure lightbox
CAS RN: 1199-65-1

1-Ethyl-4-(methoxycarbonyl)pyridinium Iodide

Product Availability

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2 package records1 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260508 1g In stock Inquiry
Batchno.20251024 5g Out of stock Inquiry
  • Product code: SSC-020690
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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: 1g
  • Available purity: ＞95%
  • 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 1199-65-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shenzhen Inquiry

1199-65-1 / methyl 1-ethylpyridin-1-ium-4-carboxylate iodide

Pyridinium, 1-ethyl-4-(methoxycarbonyl)-, iodide (1:1) | 1-Ethyl-4-carbomethoxypyridinium iodide | NSC 41724

Standard CAS: 1199-65-1 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1199-65-1
Multi CAS
Yes
Molecular Formula
C9H12INO2
Molecular Weight
293.100000
Exact Mass
292.991280
SMILES
CC[N+]1=CC=C(C=C1)C(=O)OC.[I-]
InChI
InChI=1S/C9H12NO2.HI/c1-3-10-6-4-8(5-7-10)9(11)12-2;/h4-7H,3H2,1-2H3;1H/q+1;/p-1
InChIKey
NGEAJXXGUZQCPN-UHFFFAOYSA-M
Synonyms
Pyridinium, 1-ethyl-4-(methoxycarbonyl)-, iodide (1:1) 1-Ethyl-4-carbomethoxypyridinium iodide NSC 41724 N-Ethyl-4-carbomethoxypyridinium iodide NSC 53229

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
43.65
TPSA
30.18

LogP / Solubility

WLOGP
-2.22
MLOGP
-1.94
XLogP3
-2.22
Consensus LogP
-2.13
Log S (ESOL)
-0.47
Class (ESOL)
Very soluble
Log S (Ali)
-0.36
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.03
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)
-6.08

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
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 (98.5%): 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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