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CAS 10143-54-1 3-[2-(2-Hydroxyethoxy)ethoxy]propanenitrile molecular structure lightbox
CAS RN: 10143-54-1

3-[2-(2-Hydroxyethoxy)ethoxy]propanenitrile

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260128 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-002272
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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 10143-54-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

10143-54-1 / 3-[2-(2-hydroxyethoxy)ethoxy]propanenitrile

3-[2-(2-Hydroxyethoxy)ethoxy]propanenitrile | 3-(2-(2-hydroxyethoxy)ethoxy)propanenitrile | RefChem:490379

Standard CAS: 10143-54-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
10143-54-1
Multi CAS
No
Molecular Formula
C7H13NO3
Molecular Weight
159.180000
Exact Mass
159.089543
SMILES
C(COCCOCCO)C#N
InChI
InChI=1S/C7H13NO3/c8-2-1-4-10-6-7-11-5-3-9/h9H,1,3-7H2
InChIKey
SMPHEDZQJBZERC-UHFFFAOYSA-N
Synonyms
3-[2-(2-Hydroxyethoxy)ethoxy]propanenitrile 3-(2-(2-hydroxyethoxy)ethoxy)propanenitrile RefChem:490379 Diethylene glycol mono-2-cyanoethyl ether MFCD01695427

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.86
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
1
Molar refractivity
38.95
TPSA
62.48

LogP / Solubility

WLOGP
-0.07
MLOGP
-0.07
XLogP3
-1.1
Consensus LogP
-0.41
Log S (ESOL)
-0.32
Class (ESOL)
Very soluble
Log S (Ali)
-0.81
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.47
Class (SILICOS-IT)
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)
-3.74

Drug-likeness / Medicinal Chemistry

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

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