[email protected]
CAS 4685-10-3 3-(Methoxycarbonyl)-1-MethylpyridiniuM iodide molecular structure lightbox
CAS RN: 4685-10-3

3-(Methoxycarbonyl)-1-MethylpyridiniuM iodide

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250427 1g / 5g / 25g Out of stock 5-7 business days Inquiry
  • Product code: SSC-154020
GET A QUOTE
Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.25g, 25g, 1g, 100g, 5g, 10g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 4685-10-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 2 In Stock Shanghai Inquiry
25g ≥95% 2 In Stock Beijing Inquiry
1g ≥95% 1 In Stock Shanghai Inquiry
100g ≥95% 1 In Stock Beijing Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry
10g ≥95% 0 Out of Stock Beijing Inquiry

4685-10-3 / methyl 1-methylpyridin-1-ium-3-carboxylate iodide

Standard CAS: 4685-10-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
4685-10-3
Multi CAS
No
Molecular Formula
C8H10InO2
Molecular Weight
279.070000
Exact Mass
278.975630
InChI
InChI=1S/C8H10NO2.HI/c1-9-5-3-4-7(6-9)8(10)11-2;/h3-6H,1-2H3;1H/q+1;/p-1
InChIKey
GAVGHZAEUQBEFK-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
38.96
TPSA
30.18

LogP / Solubility

WLOGP
-2.7
MLOGP
-2.37
XLogP3
-2.7
Consensus LogP
-2.59
Log S (ESOL)
-0.17
Class (ESOL)
Very soluble
Log S (Ali)
0.1
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.65
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)
-6.34

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

Customers Also Viewed

Get In Touch

Contact Us