Penclomedine
TL;DR: Penclomedine (CAS 108030-77-9) is a chemical compound with molecular formula C8H6Cl5NO2 and molecular weight 322.88412 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,5-dichloro-2,4-dimethoxy-6-(trichloromethyl)pyridine
Also Known As: PENCLOMEDINE, Penclomidine, 3,5-Dichloro-2,4-dimethoxy-6-(trichloromethyl)pyridine, PENCLOMEDINE [WHO-DD], NSC 338720; PEN
Application Areas
Top 5 of 11 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H6Cl5NO2 |
| Molecular Weight | 322.88412 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 31.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 324.88116 Da |
| Heavy Atoms | 16 |
| Complexity | 237.0 |
| Solubility | Water < 1 (mg/mL) |
| SMILES | COC1=C(C(=NC(=C1Cl)OC)C(Cl)(Cl)Cl)Cl |
| InChIKey | DZVPGIORVGSQMC-UHFFFAOYSA-N |
Chemical Property Profile of Penclomedine
Property Insights of Penclomedine
The XLogP value of 4.0 indicates that Penclomedine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.4 Ų, Penclomedine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Penclomedine has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Penclomedine?
The CAS number of Penclomedine is 108030-77-9.
What is the molecular formula of Penclomedine?
The molecular formula of Penclomedine is C8H6Cl5NO2.
What is the molecular weight of Penclomedine?
The molecular weight of Penclomedine is 322.88412 g/mol.
Where can I buy Penclomedine?
You can request a quote for Penclomedine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Penclomedine?
Yes, CoreyChem provides custom synthesis services for Penclomedine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.