Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 500g
- Available purity: ≥97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 500g | ≥97% | 0 Out of Stock | Beijing | Inquiry |
2176-62-7 / 2,3,4,5,6-pentachloropyridine
Basic Information
CAS
2176-62-7
Multi CAS
No
Molecular Formula
C5Cl5N
Molecular Weight
251.300000
Exact Mass
250.844387
SMILES
C1(=C(C(=NC(=C1Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C5Cl5N/c6-1-2(7)4(9)11-5(10)3(1)8
InChIKey
DNDPLEAVNVOOQZ-UHFFFAOYSA-N
Physical Properties
Melting Point
125.5 °C
Boiling Point
280 °C
Physical Description
Other Solid
White chips
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
H-bond acceptors
1
Molar refractivity
49.29
TPSA
12.89
LogP / Solubility
WLOGP
4.35
MLOGP
3.83
XLogP3
4.7
Consensus LogP
4.29
Log S (ESOL)
-4.54
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.76
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.9
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.17
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
