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CAS 16051-87-9 3-CYANOPROPANOIC ACID molecular structure lightbox
CAS RN: 16051-87-9

3-CYANOPROPANOIC ACID

Product Availability

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260127 1g In stock Inquiry
Batchno.20260221 250mg In stock Inquiry
Batchno.20260124 5g Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250726 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Guangdong Inquiry
  • Product code: SSC-068433
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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, 0.25g, 5g, 10g, 25g
  • Available purity: >95%
  • Inventory rows with stock: 5
  • 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 16051-87-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 4 In Stock Shanghai Inquiry
0.25g >95% 3 In Stock Hong Kong Inquiry
5g >95% 2 In Stock Shenzhen Inquiry
10g >95% 2 In Stock Beijing Inquiry
25g >95% 2 In Stock Shenzhen Inquiry

16051-87-9 / 3-cyanopropanoic acid

Standard CAS: 16051-87-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
16051-87-9
Multi CAS
No
Molecular Formula
C4H5NO2
Molecular Weight
99.090000
Exact Mass
99.032028
SMILES
C(CC(=O)O)C#N
InChI
InChI=1S/C4H5NO2/c5-3-1-2-4(6)7/h1-2H2,(H,6,7)
InChIKey
BXYQHDXDCJQOFD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
22.48
TPSA
61.09

LogP / Solubility

WLOGP
0.37
MLOGP
0.32
XLogP3
-0.6
Consensus LogP
0.03
Log S (ESOL)
-0.56
Class (ESOL)
Very soluble
Log S (Ali)
-0.64
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.86
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)
-3.06

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H319 (97.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264+P265, P280, P305+P351+P338, and P337+P317

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