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CAS 1428629-70-2 Propargyl-PEG4-NHS ester molecular structure lightbox
CAS RN: 1428629-70-2

Propargyl-PEG4-NHS ester

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260406 100mg In stock Shanghai, Tianjin Inquiry
Batchno.20260328 1g In stock Shanghai, Chengdu Inquiry
Batchno.20250828 250mg In stock Shanghai Inquiry
Batchno.20251227 5g In stock Shanghai Inquiry
  • Product code: SSC-054109
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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: 0.1g, 0.25g, 1g, 5g
  • 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 1428629-70-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

1428629-70-2 / (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanoate

Standard CAS: 1428629-70-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1428629-70-2
Multi CAS
No
Molecular Formula
C16H23NO8
Molecular Weight
357.360000
Exact Mass
357.142367
SMILES
C#CCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O
InChI
InChI=1S/C16H23NO8/c1-2-6-21-8-10-23-12-13-24-11-9-22-7-5-16(20)25-17-14(18)3-4-15(17)19/h1H,3-13H2
InChIKey
GRIZGOGILWMGRU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Fraction Csp3
0.69
Rotatable bonds
14
H-bond acceptors
8
Molar refractivity
83.91
TPSA
100.6

LogP / Solubility

WLOGP
-0.32
MLOGP
-0.26
XLogP3
-1.3
Consensus LogP
-0.63
Log S (ESOL)
-0.93
Class (ESOL)
Very soluble
Log S (Ali)
-2.26
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.4
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
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
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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