[email protected]
CAS 1689-89-0 Nitroxinil molecular structure lightbox
CAS RN: 1689-89-0

Nitroxinil

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251124 100g In stock Inquiry
Batchno.20260626 1g In stock Inquiry
Batchno.20250716 25g In stock Inquiry
Batchno.20250516 5g In stock Inquiry
  • Product code: SSC-073599
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: 1g, 5g, 25g, 10g, 100g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • 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 1689-89-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 5 In Stock Beijing Inquiry
5g ≥95% 5 In Stock Shanghai Inquiry
25g ≥95% 5 In Stock Hong Kong Inquiry
10g ≥95% 4 In Stock Hong Kong Inquiry
100g ≥95% 0 Out of Stock Shanghai Inquiry

1689-89-0 / 4-hydroxy-3-iodo-5-nitrobenzonitrile

Standard CAS: 1689-89-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1689-89-0
Multi CAS
No
Molecular Formula
C7H3IN2O3
Molecular Weight
290.010000
Exact Mass
289.918840
SMILES
C1=C(C=C(C(=C1[N+](=O)[O-])O)I)C#N
InChI
InChI=1S/C7H3IN2O3/c8-5-1-4(3-9)2-6(7(5)11)10(12)13/h1-2,11H
InChIKey
SGKGVABHDAQAJO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
52.19
TPSA
87.16

LogP / Solubility

WLOGP
1.78
MLOGP
1.57
XLogP3
2.3
Consensus LogP
1.88
Log S (ESOL)
-3.03
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.22
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.14
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.23

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Acute Toxic Irritant Environmental Hazard
Signal
Danger
GHS Hazard Statements
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] H315 (97.9%): Causes skin irritation [Warning Skin corrosion/irritation] H317 (99%): May cause an allergic skin reaction [Warning Sensitization, Skin] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (96.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us