CAS RN: 1680-44-0
5-PHENYL-1H-1,2,3-TRIAZOLE
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: SSC-073266
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, 0.1g, 10g, 25g, 0.25g
- Available purity: ≥95%
- Inventory rows with stock: 10
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | -- | 5 In Stock | Beijing | Inquiry |
| 1g | ≥95% | 5 In Stock | Shenzhen | Inquiry |
| 5g | -- | 5 In Stock | Beijing | Inquiry |
| 5g | ≥95% | 5 In Stock | Hong Kong | Inquiry |
| 0.1g | -- | 2 In Stock | Beijing | Inquiry |
| 0.1g | ≥95% | 2 In Stock | Shenzhen | Inquiry |
| 10g | -- | 2 In Stock | Beijing | Inquiry |
| 10g | ≥95% | 2 In Stock | Shanghai | Inquiry |
| 25g | -- | 1 In Stock | Hong Kong | Inquiry |
| 25g | ≥95% | 1 In Stock | Shanghai | Inquiry |
| 0.25g | -- | 0 Out of Stock | Shanghai | Inquiry |
| 0.25g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
1680-44-0 / 4-phenyl-2H-triazole
Basic Information
CAS
1680-44-0
Multi CAS
No
Molecular Formula
C8H7N3
Molecular Weight
145.160000
Exact Mass
145.063997
SMILES
C1=CC=C(C=C1)C2=NNN=C2
InChI
InChI=1S/C8H7N3/c1-2-4-7(5-3-1)8-6-9-11-10-8/h1-6H,(H,9,10,11)
InChIKey
LUEYUHCBBXWTQT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
41.82
TPSA
41.57
LogP / Solubility
WLOGP
1.47
MLOGP
1.29
XLogP3
1.3
Consensus LogP
1.35
Log S (ESOL)
-2.34
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.81
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.95
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)
-2.56
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (75%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H332 (75%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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