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CAS 174362-95-9 Amino-Tri-(carboxyethoxymethyl)-methane molecular structure lightbox
CAS RN: 174362-95-9

Amino-Tri-(carboxyethoxymethyl)-methane

Product Availability

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250511 100mg In stock Inquiry
Batchno.20250211 25mg Out of stock Inquiry
Batchno.20250713 500mg In stock Inquiry
  • Product code: SSC-076502
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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: ＞97%
  • 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 174362-95-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

174362-95-9 / 3-[2-amino-3-(2-carboxyethoxy)-2-(2-carboxyethoxymethyl)propoxy]propanoic acid

Standard CAS: 174362-95-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
174362-95-9
Multi CAS
No
Molecular Formula
C13H23NO9
Molecular Weight
337.320000
Exact Mass
337.137281
SMILES
C(COCC(COCCC(=O)O)(COCCC(=O)O)N)C(=O)O
InChI
InChI=1S/C13H23NO9/c14-13(7-21-4-1-10(15)16,8-22-5-2-11(17)18)9-23-6-3-12(19)20/h1-9,14H2,(H,15,16)(H,17,18)(H,19,20)
InChIKey
PZOSHMSOMAHCEX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Fraction Csp3
0.77
Rotatable bonds
15
H-bond acceptors
7
H-bond donors
4
Molar refractivity
76.13
TPSA
165.61

LogP / Solubility

WLOGP
-0.84
MLOGP
-0.72
XLogP3
-5.1
Consensus LogP
-2.22
Log S (ESOL)
-0.41
Class (ESOL)
Very soluble
Log S (Ali)
-1.72
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.95
Class (SILICOS-IT)
Moderately 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)
-5.38

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

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