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CAS 137-20-2 SODIUM-N-METHYL-N-OLEYL TAURATE molecular structure lightbox
CAS RN: 137-20-2

SODIUM-N-METHYL-N-OLEYL TAURATE

Product Availability

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250212 100g In stock Shanghai, Hebei Inquiry
Batchno.20250322 2.5kg Out of stock 8-10 business days Inquiry
Batchno.20260318 500g In stock Shanghai, Shandong Inquiry
  • Product code: starshine_CAS137-20-2
  • Purity/Analytical Methods: >99.0%
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137-20-2 / sodium 2-[methyl-[(Z)-octadec-9-enoyl]amino]ethanesulfonate

Standard CAS: 137-20-2 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
137-20-2
Multi CAS
No
Molecular Formula
C21H40NNaO4S
Molecular Weight
425.600000
Exact Mass
425.257574
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)N(C)CCS(=O)(=O)[O-].[Na+]
InChI
InChI=1S/C21H41NO4S.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)22(2)19-20-27(24,25)26;/h10-11H,3-9,12-20H2,1-2H3,(H,24,25,26);/q;+1/p-1/b11-10-;
InChIKey
IZWPGJFSBABFGL-GMFCBQQYSA-M

Physical Properties

Physical Description
Liquid; Dry Powder White solid with a sweet odor; [Hawley]
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
28
Fraction Csp3
0.86
Rotatable bonds
18
H-bond acceptors
4
Molar refractivity
111.65
TPSA
77.51

LogP / Solubility

WLOGP
2.03
MLOGP
1.81
XLogP3
2.03
Consensus LogP
1.96
Log S (ESOL)
-2.57
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.52
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.27
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.87

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (18.6%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (26.2%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (38.2%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H319 (58.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501

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