CAS RN: 1809031-84-2
(1-(3-Iodophenyl)-4-(3-Nitrophenyl)-1,2,3-Triazole)
Product Availability
Choose a grade to view its available package options.
8 package records7 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250326 | 5mg / 25mg / 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251207 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20251013 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20260612 | 1g | Out of stock | Inquiry | |
| Batchno.20251106 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20250821 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20260413 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250804 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1809031-84-2
- Purity/Analytical Methods: >99.0%
1809031-84-2 / 1-(3-iodophenyl)-4-(3-nitrophenyl)triazole
Basic Information
CAS
1809031-84-2
Multi CAS
No
Molecular Formula
C14H9IN4O2
Molecular Weight
392.150000
Exact Mass
391.977020
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])C2=CN(N=N2)C3=CC(=CC=C3)I
InChI
InChI=1S/C14H9IN4O2/c15-11-4-2-5-12(8-11)18-9-14(16-17-18)10-3-1-6-13(7-10)19(20)21/h1-9H
InChIKey
LSVWEYNSNZJEGB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
17
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
86.17
TPSA
73.85
LogP / Solubility
WLOGP
3.45
MLOGP
3.06
XLogP3
3.5
Consensus LogP
3.34
Log S (ESOL)
-4.84
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.26
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.43
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.66
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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