CAS RN: 1780-27-4
4,5,6-Trichloropyrimidine
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250202 | 1g / 5g / 10g / 25g / 100g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-077947
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, 0.25g, 10g, 25g, 100g
- Available purity: ≥98%
- Inventory rows with stock: 6
- 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 | Shenzhen | Inquiry |
| 1g | ≥98% | 5 In Stock | Beijing | Inquiry |
| 5g | -- | 4 In Stock | Shenzhen | Inquiry |
| 5g | ≥98% | 4 In Stock | Shanghai | Inquiry |
| 0.25g | -- | 1 In Stock | Shenzhen | Inquiry |
| 0.25g | ≥98% | 1 In Stock | Hong Kong | Inquiry |
| 10g | -- | 0 Out of Stock | Hong Kong | Inquiry |
| 10g | ≥98% | 0 Out of Stock | Shanghai | Inquiry |
| 25g | -- | 0 Out of Stock | Beijing | Inquiry |
| 25g | ≥98% | 0 Out of Stock | Shanghai | Inquiry |
| 100g | -- | 0 Out of Stock | Beijing | Inquiry |
| 100g | ≥98% | 0 Out of Stock | Shanghai | Inquiry |
1780-27-4 / 4,5,6-trichloropyrimidine
Basic Information
CAS
1780-27-4
Multi CAS
No
Molecular Formula
C4HCl3N2
Molecular Weight
183.420000
Exact Mass
181.920531
SMILES
C1=NC(=C(C(=N1)Cl)Cl)Cl
InChI
InChI=1S/C4HCl3N2/c5-2-3(6)8-1-9-4(2)7/h1H
InChIKey
AUWPHGWEYHEAIG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
2
Molar refractivity
37.06
TPSA
25.78
LogP / Solubility
WLOGP
2.44
MLOGP
2.14
XLogP3
2.8
Consensus LogP
2.46
Log S (ESOL)
-3.01
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.82
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.87
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)
-2.11
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 (60%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (60%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H315 (60%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (60%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H332 (60%): 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
