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CAS 4107-62-4 Methyl 3-Cyanopropionate molecular structure lightbox
CAS RN: 4107-62-4

Methyl 3-Cyanopropionate

Product Availability

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250609 10g Out of stock 5-7 business days Inquiry
Batchno.20250304 1g In stock Shanghai, Shandong Inquiry
Batchno.20250524 5g In stock Shandong Inquiry
  • Product code: SSC-149487
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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, 5g, 10g, 25g, 100g
  • Available purity: ≥98%
  • Inventory rows with stock: 4
  • 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 4107-62-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 5 In Stock Shanghai Inquiry
5g ≥98% 5 In Stock Beijing Inquiry
10g ≥98% 3 In Stock Shenzhen Inquiry
25g ≥98% 2 In Stock Shenzhen Inquiry
100g ≥98% 0 Out of Stock Shanghai Inquiry

4107-62-4 / methyl 3-cyanopropanoate

Standard CAS: 4107-62-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4107-62-4
Multi CAS
Yes
Molecular Formula
C5H7NO2
Molecular Weight
113.110000
Exact Mass
113.047678
InChI
InChI=1S/C5H7NO2/c1-8-5(7)3-2-4-6/h2-3H2,1H3
InChIKey
BPSKURPOKFSLHJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.6
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
26.86
TPSA
50.09

LogP / Solubility

WLOGP
0.46
MLOGP
0.4
XLogP3
-0.3
Consensus LogP
0.19
Log S (ESOL)
-0.7
Class (ESOL)
Very soluble
Log S (Ali)
-0.82
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.02
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)
-3.08

Drug-likeness / Medicinal Chemistry

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

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