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CAS 39201-33-7 4-Cyanobutyric acid molecular structure lightbox
CAS RN: 39201-33-7

4-Cyanobutyric acid

Product Availability

Choose a grade to view its available package options.

9 package records8 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260625 100mg In stock Inquiry
Batchno.20250314 1g In stock Inquiry
Batchno.20250810 250mg Out of stock Inquiry
Batchno.20250502 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250211 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250516 100mg In stock Shanghai, Shenzhen Inquiry
Batchno.20250603 1g In stock Shanghai Inquiry
Batchno.20250126 250mg In stock Shanghai Inquiry
Batchno.20250616 5g In stock Shanghai Inquiry
  • Product code: SSC-146867
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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: 0.1g, 0.25g, 1g, 5g
  • 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 39201-33-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >98% 2 In Stock Shanghai Inquiry
0.25g >98% 2 In Stock Beijing Inquiry
1g >98% 2 In Stock Shenzhen Inquiry
5g >98% 2 In Stock Shanghai Inquiry

39201-33-7 / 4-cyanobutanoic acid

Standard CAS: 39201-33-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
39201-33-7
Multi CAS
No
Molecular Formula
C5H7NO2
Molecular Weight
113.110000
Exact Mass
113.047678
InChI
InChI=1S/C5H7NO2/c6-4-2-1-3-5(7)8/h1-3H2,(H,7,8)
InChIKey
YXBVMSQDRLXPQV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.6
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
27.1
TPSA
61.09

LogP / Solubility

WLOGP
0.76
MLOGP
0.66
XLogP3
-0.2
Consensus LogP
0.41
Log S (ESOL)
-0.83
Class (ESOL)
Very soluble
Log S (Ali)
-1.04
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.39
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)
-2.87

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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