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CAS 119580-47-1 N-Benzyl-N-bis(PEG1-OH) molecular structure lightbox
CAS RN: 119580-47-1

N-Benzyl-N-bis(PEG1-OH)

Product Availability

Choose a grade to view its available package options.

3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250926 1g In stock Inquiry
Batchno.20260526 250mg In stock Inquiry
Batchno.20260610 50mg Out of stock Inquiry
  • Product code: SSC-020117
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 119580-47-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 2 In Stock Hong Kong Inquiry
0.25g >95% 2 In Stock Beijing Inquiry
1g >95% 2 In Stock Beijing Inquiry

119580-47-1 / 2-[2-[benzyl-[2-(2-hydroxyethoxy)ethyl]amino]ethoxy]ethanol

N-Benzyl-N-bis(PEG1-OH) | N-Benzyl-N-bis-PEG2 | 2-(2-{benzyl[2-(2-hydroxyethoxy)ethyl]amino}ethoxy)ethan-1-ol

Standard CAS: 119580-47-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
119580-47-1
Multi CAS
No
Molecular Formula
C15H25NO4
Molecular Weight
283.360000
Exact Mass
283.178358
SMILES
C1=CC=C(C=C1)CN(CCOCCO)CCOCCO
InChI
InChI=1S/C15H25NO4/c17-8-12-19-10-6-16(7-11-20-13-9-18)14-15-4-2-1-3-5-15/h1-5,17-18H,6-14H2
InChIKey
HBHHHXUOMCTWCK-UHFFFAOYSA-N
Synonyms
N-Benzyl-N-bis(PEG1-OH) N-Benzyl-N-bis-PEG2 2-(2-{benzyl[2-(2-hydroxyethoxy)ethyl]amino}ethoxy)ethan-1-ol MFCD00429254 2-[2-[benzyl-[2-(2-hydroxyethoxy)ethyl]amino]ethoxy]ethanol

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
12
H-bond acceptors
5
H-bond donors
2
Molar refractivity
77.53
TPSA
62.16

LogP / Solubility

WLOGP
0.51
MLOGP
0.46
XLogP3
0.1
Consensus LogP
0.36
Log S (ESOL)
-1.35
Class (ESOL)
Soluble
Log S (Ali)
-2.25
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.36
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.09

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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