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CAS 4408-81-5 1,2-Diaminopropane-N,N,N’,N’-tetraacetic Acid molecular structure lightbox
CAS RN: 4408-81-5

1,2-Diaminopropane-N,N,N’,N’-tetraacetic Acid

Product Availability

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5 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260623 1g In stock Inquiry
Batchno.20250827 25g Out of stock Inquiry
Batchno.20251224 500g Out of stock Inquiry
Batchno.20251203 5g Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250703 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Chongqing 5-7 business days Inquiry
  • Product code: SSC-152129
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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: 500g
  • Available purity: ≥98%
  • 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 4408-81-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
500g ≥98% 0 Out of Stock Hong Kong Inquiry

4408-81-5 / 2-[2-[bis(carboxymethyl)amino]propyl-(carboxymethyl)amino]acetic acid

Standard CAS: 4408-81-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4408-81-5
Multi CAS
Yes
Molecular Formula
C11H18N2O8
Molecular Weight
306.270000
Exact Mass
306.106316
InChI
InChI=1S/C11H18N2O8/c1-7(13(5-10(18)19)6-11(20)21)2-12(3-8(14)15)4-9(16)17/h7H,2-6H2,1H3,(H,14,15)(H,16,17)(H,18,19)(H,20,21)
InChIKey
XNCSCQSQSGDGES-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Fraction Csp3
0.64
Rotatable bonds
11
H-bond acceptors
6
H-bond donors
4
Molar refractivity
68.02
TPSA
155.68

LogP / Solubility

WLOGP
-1.68
MLOGP
-1.47
XLogP3
-5.4
Consensus LogP
-2.85
Log S (ESOL)
0.05
Class (ESOL)
Highly soluble
Log S (Ali)
-0.86
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.57
Class (SILICOS-IT)
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)
-5.78

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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