[email protected]
CAS 6017-21-6 BENZENEAZOMALONONITRILE molecular structure lightbox
CAS RN: 6017-21-6

BENZENEAZOMALONONITRILE

Product Availability

Choose a grade to view its available package options.

8 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250210 100g In stock Inquiry
Batchno.20260415 25g In stock Inquiry
Batchno.20250520 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260525 100g In stock Shanghai Inquiry
Batchno.20250202 10g In stock Shanghai Inquiry
Batchno.20260203 25g In stock Shanghai Inquiry
Batchno.20250525 500g Out of stock Inquiry
Batchno.20251129 5g In stock Shanghai Inquiry
  • Product code: SSC-168740
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: 10g, 1g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 1
  • 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 6017-21-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥95% 1 In Stock Beijing Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

6017-21-6 / 2-phenyldiazenylpropanedinitrile

Standard CAS: 6017-21-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6017-21-6
Multi CAS
Yes
Molecular Formula
C9H6N4
Molecular Weight
170.170000
Exact Mass
170.059246
InChI
InChI=1S/C9H6N4/c10-6-9(7-11)13-12-8-4-2-1-3-5-8/h1-5,9H
InChIKey
KLMBASWITNCMTF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
45.97
TPSA
72.3

LogP / Solubility

WLOGP
2.19
MLOGP
1.92
XLogP3
2.7
Consensus LogP
2.27
Log S (ESOL)
-2.48
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.53
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.82
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)
-2.21

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us