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CAS 17121-34-5 N,N,N’,N”,N”-Pentakis(2-hydroxypropyl)diethylenetriamine molecular structure lightbox
CAS RN: 17121-34-5

N,N,N’,N”,N”-Pentakis(2-hydroxypropyl)diethylenetriamine

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260620 5g / 25g / 100g Confirm by inquiry Shanghai, Guangdong Inquiry
  • Product code: SSC-075428
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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: 25g
  • 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 17121-34-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Shanghai Inquiry

17121-34-5 / 1-[bis[2-[bis(2-hydroxypropyl)amino]ethyl]amino]propan-2-ol

Standard CAS: 17121-34-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
17121-34-5
Multi CAS
No
Molecular Formula
C19H43N3O5
Molecular Weight
393.600000
Exact Mass
393.320271
SMILES
CC(CN(CCN(CC(C)O)CC(C)O)CCN(CC(C)O)CC(C)O)O
InChI
InChI=1S/C19H43N3O5/c1-15(23)10-20(6-8-21(11-16(2)24)12-17(3)25)7-9-22(13-18(4)26)14-19(5)27/h15-19,23-27H,6-14H2,1-5H3
InChIKey
LWMWZNOCSCPBCH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Fraction Csp3
1
Rotatable bonds
16
H-bond acceptors
8
H-bond donors
5
Molar refractivity
107.72
TPSA
110.87

LogP / Solubility

WLOGP
-1.2
MLOGP
-1.04
XLogP3
-0.9
Consensus LogP
-1.05
Log S (ESOL)
-0.47
Class (ESOL)
Very soluble
Log S (Ali)
-1.92
Class (Ali)
Soluble
Log S (SILICOS-IT)
-3.14
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)
-5.98

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (23.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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