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CAS 2086689-05-4 2-(Azido-PEG3-amido)-1,3-bis(carboxylethoxy)propane molecular structure lightbox
CAS RN: 2086689-05-4

2-(Azido-PEG3-amido)-1,3-bis(carboxylethoxy)propane

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260320 100mg Out of stock 15 business days Inquiry
  • Product code: SSC-098055
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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
  • 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 2086689-05-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry

2086689-05-4 / 3-[2-[3-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]propanoylamino]-3-(2-carboxyethoxy)propoxy]propanoic acid

Standard CAS: 2086689-05-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2086689-05-4
Multi CAS
No
Molecular Formula
C18H32N4O10
Molecular Weight
464.500000
Exact Mass
464.211843
SMILES
C(COCCOCCOCCN=[N+]=[N-])C(=O)NC(COCCC(=O)O)COCCC(=O)O
InChI
InChI=1S/C18H32N4O10/c19-22-20-4-8-29-10-12-30-11-9-28-5-1-16(23)21-15(13-31-6-2-17(24)25)14-32-7-3-18(26)27/h15H,1-14H2,(H,21,23)(H,24,25)(H,26,27)
InChIKey
NIEBYMXGDWQDQN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Fraction Csp3
0.83
Rotatable bonds
23
H-bond acceptors
9
H-bond donors
3
Molar refractivity
109.16
TPSA
198.61

LogP / Solubility

WLOGP
0.2
MLOGP
0.21
XLogP3
-1.3
Consensus LogP
-0.3
Log S (ESOL)
-1.33
Class (ESOL)
Soluble
Log S (Ali)
-3.52
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-5.61
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.41

Drug-likeness / Medicinal Chemistry

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

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