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CAS 1037301-15-7 3-amino-tetrahydrofuran-3-carbonitrile molecular structure lightbox
CAS RN: 1037301-15-7

3-amino-tetrahydrofuran-3-carbonitrile

  • Product code: SSC-005342
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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: 1g, 25g, 0.1g, 0.25g, 10g, 5g, 1000g
  • Available purity: ≥95%
  • Inventory rows with stock: 10
  • 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 1037301-15-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g -- 2 In Stock Hong Kong Inquiry
1g ≥95% 2 In Stock Beijing Inquiry
25g -- 2 In Stock Shanghai Inquiry
25g ≥95% 2 In Stock Shenzhen Inquiry
0.1g -- 1 In Stock Shenzhen Inquiry
0.1g ≥95% 1 In Stock Beijing Inquiry
0.25g -- 1 In Stock Beijing Inquiry
0.25g ≥95% 1 In Stock Shanghai Inquiry
10g -- 1 In Stock Shenzhen Inquiry
10g ≥95% 1 In Stock Shenzhen Inquiry
5g -- 0 Out of Stock Hong Kong Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry
1000g -- 0 Out of Stock Shenzhen Inquiry

1037301-15-7 / 3-aminooxolane-3-carbonitrile

3-aminotetrahydrofuran-3-carbonitrile | 3-aminooxolane-3-carbonitrile | MFCD18333627

Standard CAS: 1037301-15-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1037301-15-7
Multi CAS
No
Molecular Formula
C5H8N2O
Molecular Weight
112.130000
Exact Mass
112.063663
SMILES
C1COCC1(C#N)N
InChI
InChI=1S/C5H8N2O/c6-3-5(7)1-2-8-4-5/h1-2,4,7H2
InChIKey
DESOQXQPWQVATO-UHFFFAOYSA-N
Synonyms
3-aminotetrahydrofuran-3-carbonitrile 3-aminooxolane-3-carbonitrile MFCD18333627 SCHEMBL3774381 CHEMBL4518807

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.8
H-bond acceptors
3
H-bond donors
1
Molar refractivity
27.97
TPSA
59.04

LogP / Solubility

WLOGP
-0.37
MLOGP
-0.34
XLogP3
-1.1
Consensus LogP
-0.6
Log S (ESOL)
-0.3
Class (ESOL)
Very soluble
Log S (Ali)
-0.21
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.08
Class (SILICOS-IT)
Very 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)
-3.67

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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