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CAS 1393330-40-9 Propargyl-PEG5-NHS Ester molecular structure lightbox
CAS RN: 1393330-40-9

Propargyl-PEG5-NHS Ester

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250317 100mg In stock Shanghai Inquiry
Batchno.20250907 1g In stock Shanghai Inquiry
Batchno.20250712 250mg In stock Shanghai Inquiry
Batchno.20260621 50mg In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
  • Product code: SSC-049785
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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: >97%
  • 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 1393330-40-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 2 In Stock Shenzhen Inquiry
0.25g >97% 2 In Stock Shenzhen Inquiry
1g >97% 2 In Stock Hong Kong Inquiry

1393330-40-9 / (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]propanoate

Standard CAS: 1393330-40-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1393330-40-9
Multi CAS
No
Molecular Formula
C18H27NO9
Molecular Weight
401.400000
Exact Mass
401.168581
SMILES
C#CCOCCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O
InChI
InChI=1S/C18H27NO9/c1-2-6-23-8-10-25-12-14-27-15-13-26-11-9-24-7-5-18(22)28-19-16(20)3-4-17(19)21/h1H,3-15H2
InChIKey
ACZDUKRWTPZVRP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Fraction Csp3
0.72
Rotatable bonds
17
H-bond acceptors
9
Molar refractivity
94.72
TPSA
109.83

LogP / Solubility

WLOGP
-0.3
MLOGP
-0.24
XLogP3
-1.5
Consensus LogP
-0.68
Log S (ESOL)
-1.02
Class (ESOL)
Soluble
Log S (Ali)
-2.63
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-4.06
Class (SILICOS-IT)
Slightly 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)
-5.38

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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