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CAS 2112737-25-2 Propargyl-PEG10-amine molecular structure lightbox
CAS RN: 2112737-25-2

Propargyl-PEG10-amine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260403 100mg / 250mg Out of stock 15 business days Inquiry
  • Product code: SSC-100862
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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: 1g
  • 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 2112737-25-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

2112737-25-2 / 2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine

Standard CAS: 2112737-25-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2112737-25-2
Multi CAS
No
Molecular Formula
C23H45NO10
Molecular Weight
495.600000
Exact Mass
495.304347
SMILES
C#CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN
InChI
InChI=1S/C23H45NO10/c1-2-4-25-6-8-27-10-12-29-14-16-31-18-20-33-22-23-34-21-19-32-17-15-30-13-11-28-9-7-26-5-3-24/h1H,3-24H2
InChIKey
BUHRQQWHOZKWAN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Fraction Csp3
0.91
Rotatable bonds
30
H-bond acceptors
11
H-bond donors
1
Molar refractivity
126.08
TPSA
118.32

LogP / Solubility

WLOGP
-0.26
MLOGP
-0.19
XLogP3
-2.1
Consensus LogP
-0.85
Log S (ESOL)
-0.77
Class (ESOL)
Very soluble
Log S (Ali)
-3.44
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-6.27
Class (SILICOS-IT)
Insoluble

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)
-5.92

Drug-likeness / Medicinal Chemistry

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

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