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CAS 1381861-95-5 Tri(carboxyethyloxyethyl)amine HCl salt molecular structure lightbox
CAS RN: 1381861-95-5

Tri(carboxyethyloxyethyl)amine HCl salt

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250406 1g Out of stock 15 business days Inquiry
  • Product code: SSC-048122
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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: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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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 1381861-95-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1381861-95-5 / 3-[2-[bis[2-(2-carboxyethoxy)ethyl]amino]ethoxy]propanoic acid

Standard CAS: 1381861-95-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1381861-95-5
Multi CAS
No
Molecular Formula
C15H27NO9
Molecular Weight
365.380000
Exact Mass
365.168581
SMILES
C(COCCN(CCOCCC(=O)O)CCOCCC(=O)O)C(=O)O
InChI
InChI=1S/C15H27NO9/c17-13(18)1-7-23-10-4-16(5-11-24-8-2-14(19)20)6-12-25-9-3-15(21)22/h1-12H2,(H,17,18)(H,19,20)(H,21,22)
InChIKey
QNHMUDRSUKYNFE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Fraction Csp3
0.8
Rotatable bonds
18
H-bond acceptors
7
H-bond donors
3
Molar refractivity
85.66
TPSA
142.83

LogP / Solubility

WLOGP
-0.24
MLOGP
-0.19
XLogP3
-4
Consensus LogP
-1.48
Log S (ESOL)
-0.77
Class (ESOL)
Very soluble
Log S (Ali)
-2.38
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-4
Class (SILICOS-IT)
Poorly 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)
-5.12

Drug-likeness / Medicinal Chemistry

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

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