[email protected]
CAS 614-16-4 Benzoylacetonitrile molecular structure lightbox
CAS RN: 614-16-4

Benzoylacetonitrile

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250409 100g In stock Inquiry
Batchno.20260211 25g In stock Inquiry
Batchno.20251120 500g In stock Inquiry
Batchno.20260303 5g In stock Inquiry
  • Product code: SSC-170255
GET A QUOTE
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: 5g, 25g, 10g, 100g, 500g
  • Available purity: ≥98%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 614-16-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 5 In Stock Shanghai Inquiry
25g ≥98% 5 In Stock Shanghai Inquiry
10g ≥98% 4 In Stock Shanghai Inquiry
100g ≥98% 1 In Stock Hong Kong Inquiry
500g ≥98% 1 In Stock Beijing Inquiry

614-16-4 / 3-oxo-3-phenylpropanenitrile

Standard CAS: 614-16-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
614-16-4
Multi CAS
Yes
Molecular Formula
C9H7NO
Molecular Weight
145.160000
Exact Mass
145.052764
InChI
InChI=1S/C9H7NO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5H,6H2
InChIKey
ZJRCIQAMTAINCB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
41
TPSA
40.86

LogP / Solubility

WLOGP
1.78
MLOGP
1.56
XLogP3
1
Consensus LogP
1.45
Log S (ESOL)
-2.13
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.04
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.32
Class (SILICOS-IT)
Moderately 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)
-2.34

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us