[email protected]
CAS 126-31-8 methiodal sodium molecular structure lightbox
CAS RN: 126-31-8

methiodal sodium

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260325 250mg Out of stock Inquiry
  • Product code: starshine_CAS126-31-8
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

126-31-8 / sodium iodomethanesulfonate

Standard CAS: 126-31-8 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
126-31-8
Multi CAS
No
Molecular Formula
CH2INaO3S
Molecular Weight
243.990000
Exact Mass
243.866710
SMILES
C(S(=O)(=O)[O-])I.[Na+]
InChI
InChI=1S/CH3IO3S.Na/c2-1-6(3,4)5;/h1H2,(H,3,4,5);/q;+1/p-1
InChIKey
COCJIVDXXCJXND-UHFFFAOYSA-M

Physical Properties

Physical Description
Iodomethanesulfonic acid, sodium salt appears as colorless crystals. (NTP, 1992)
Appearance
CRYSTALS WHITE CRYSTALLINE POWDER
State
Solid
Storage Conditions
STORAGE PRECAUTIONS: You should keep this material in a tightly-closed container under an inert atmosphere, and store it in a freezer. (NTP, 1992)

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
28.58
TPSA
57.2

LogP / Solubility

WLOGP
-3.07
MLOGP
-2.7
XLogP3
-3.07
Consensus LogP
-2.95
Log S (ESOL)
0.65
Class (ESOL)
Highly soluble
Log S (Ali)
0.66
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.18
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)
-6.39

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

Customers Also Viewed

Get In Touch

Contact Us