[email protected]
CAS 869-52-3 Triethylenetetramine-N,N,N’,N”,N”’,N”’-hexaacetic Acid molecular structure lightbox
CAS RN: 869-52-3

Triethylenetetramine-N,N,N’,N”,N”’,N”’-hexaacetic Acid

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250801 10g In stock Shanghai Inquiry
Batchno.20251002 1g In stock Shanghai Inquiry
Batchno.20260124 200mg / 1g / 5g / 10g / 50g Confirm by inquiry Shandong, Shanghai, Guangdong Inquiry
Batchno.20250910 25g In stock Shanghai Inquiry
Batchno.20251011 5g In stock Shanghai Inquiry
  • Product code: SSC-196218
GET A QUOTE
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: 5g
  • Available purity: ≥97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 869-52-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Shanghai Inquiry

869-52-3 / 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl]amino]acetic acid

Standard CAS: 869-52-3 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
869-52-3
Multi CAS
Yes
Molecular Formula
C18H30N4O12
Molecular Weight
494.500000
Exact Mass
494.186022
InChI
InChI=1S/C18H30N4O12/c23-13(24)7-19(3-5-21(9-15(27)28)10-16(29)30)1-2-20(8-14(25)26)4-6-22(11-17(31)32)12-18(33)34/h1-12H2,(H,23,24)(H,25,26)(H,27,28)(H,29,30)(H,31,32)(H,33,34)
InChIKey
RAEOEMDZDMCHJA-UHFFFAOYSA-N

Physical Properties

Physical Description
White crystalline powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
34
Fraction Csp3
0.67
Rotatable bonds
21
H-bond acceptors
10
H-bond donors
6
Molar refractivity
111.57
TPSA
236.76

LogP / Solubility

WLOGP
-3.3
MLOGP
-2.87
XLogP3
-11.2
Consensus LogP
-5.79
Log S (ESOL)
0.56
Class (ESOL)
Highly soluble
Log S (Ali)
-1.23
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.66
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-8.08

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us