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CAS 2100306-83-8 NH-bis(PEG2-propargyl) molecular structure lightbox
CAS RN: 2100306-83-8

NH-bis(PEG2-propargyl)

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250209 250mg Out of stock 15 business days Inquiry
  • Product code: SSC-099883
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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
  • 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 2100306-83-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Beijing Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

2100306-83-8 / 2-(2-prop-2-ynoxyethoxy)-N-[2-(2-prop-2-ynoxyethoxy)ethyl]ethanamine

Standard CAS: 2100306-83-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2100306-83-8
Multi CAS
No
Molecular Formula
C14H23NO4
Molecular Weight
269.340000
Exact Mass
269.162708
SMILES
C#CCOCCOCCNCCOCCOCC#C
InChI
InChI=1S/C14H23NO4/c1-3-7-16-11-13-18-9-5-15-6-10-19-14-12-17-8-4-2/h1-2,15H,5-14H2
InChIKey
INYFRCVRXSOWEZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.71
Rotatable bonds
14
H-bond acceptors
5
H-bond donors
1
Molar refractivity
73.81
TPSA
48.95

LogP / Solubility

WLOGP
-0.09
MLOGP
-0.07
XLogP3
-0.6
Consensus LogP
-0.25
Log S (ESOL)
-0.53
Class (ESOL)
Very soluble
Log S (Ali)
-1.7
Class (Ali)
Soluble
Log S (SILICOS-IT)
-3.02
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)
-4.43

Drug-likeness / Medicinal Chemistry

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

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