[email protected]
CAS 33720-71-7 Benzonitrile, 5-acetyl-2-amino- (9CI) molecular structure lightbox
CAS RN: 33720-71-7

Benzonitrile, 5-acetyl-2-amino- (9CI)

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250811 250mg / 1g / 5g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-139862
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: 0.1g, 0.25g, 1g, 5g, 10g
  • 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 33720-71-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >98% 2 In Stock Shenzhen Inquiry
0.25g >98% 2 In Stock Shenzhen Inquiry
1g >98% 2 In Stock Shenzhen Inquiry
5g >98% 2 In Stock Shanghai Inquiry
10g >98% 2 In Stock Beijing Inquiry

33720-71-7 / 5-acetyl-2-aminobenzonitrile

Standard CAS: 33720-71-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
33720-71-7
Multi CAS
No
Molecular Formula
C9H8N2O
Molecular Weight
160.170000
Exact Mass
160.063663
InChI
InChI=1S/C9H8N2O/c1-6(12)7-2-3-9(11)8(4-7)5-10/h2-4H,11H2,1H3
InChIKey
SJXQSPLLUXAJQJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
45.57
TPSA
66.88

LogP / Solubility

WLOGP
1.34
MLOGP
1.18
XLogP3
1.2
Consensus LogP
1.24
Log S (ESOL)
-1.98
Class (ESOL)
Soluble
Log S (Ali)
-1.84
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.94
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)
-2.74

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

Customers Also Viewed

Get In Touch

Contact Us