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CAS 13368-13-3 ETHYLENE GLYCOL-BIS(BETA-AMINOETHYL ETHER)-N,N,N’,N’-TETRAACETIC ACID TETRASODIUM SALT molecular structure lightbox
CAS RN: 13368-13-3

ETHYLENE GLYCOL-BIS(BETA-AMINOETHYL ETHER)-N,N,N’,N’-TETRAACETIC ACID TETRASODIUM SALT

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251024 1g In stock Shanghai Inquiry
Batchno.20260121 1g / 10g / 25g / 50g / 250g Confirm by inquiry Shanghai, Shandong, Hebei Inquiry
Batchno.20250222 25g In stock Shanghai Inquiry
Batchno.20250507 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS13368-13-3
  • Purity/Analytical Methods: >99.0%
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13368-13-3 / tetrasodium;2-[2-[2-[2-[bis(carboxylatomethyl)amino]ethoxy]ethoxy]ethyl-(carboxylatomethyl)amino]acetate

Standard CAS: 13368-13-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
13368-13-3
Multi CAS
No
Molecular Formula
C14H20N2Na4O10
Molecular Weight
468.270000
Exact Mass
468.070872
SMILES
C(COCCOCCN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+].[Na+]
InChI
InChI=1S/C14H24N2O10.4Na/c17-11(18)7-15(8-12(19)20)1-3-25-5-6-26-4-2-16(9-13(21)22)10-14(23)24;;;;/h1-10H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24);;;;/q;4*+1/p-4
InChIKey
BAOGCDPNNOBWQZ-UHFFFAOYSA-J

Computed Properties

Structural Parameters

Heavy atom count
30
Fraction Csp3
0.71
Rotatable bonds
17
H-bond acceptors
12
Molar refractivity
74.55
TPSA
185.46

LogP / Solubility

WLOGP
-19.36
MLOGP
-17.01
XLogP3
-19.36
Consensus LogP
-18.58
Log S (ESOL)
10.58
Class (ESOL)
Highly soluble
Log S (Ali)
10.58
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
11.33
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)
-19.32

Drug-likeness / Medicinal Chemistry

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

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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