Penthrichloral
TL;DR: Penthrichloral (CAS 5684-90-2) is a chemical compound with molecular formula C7H11Cl3O4 and molecular weight 263.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(hydroxymethyl)-2-(trichloromethyl)-1,3-dioxan-5-yl]methanol
Also Known As: Penthrichloral, Pentricloral, Pentrichloralum, Penthrichloralum, Pentricloral [INN-Spanish]
| Molecular Formula | C7H11Cl3O4 |
|---|---|
| Molecular Weight | 263.97 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 58.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 263.9723 |
| Heavy Atoms | 14 |
| Complexity | 180.0 |
Chemical Identifiers
| CAS Number | 5684-90-2 |
|---|---|
| SMILES | C1C(COC(O1)C(Cl)(Cl)Cl)(CO)CO |
| InChIKey | QMSJBEPHXPSJPT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Penthrichloral (CAS 5684-90-2), with molecular formula C7H11Cl3O4 and molecular weight 263.97 g/mol. IUPAC: [5-(hydroxymethyl)-2-(trichloromethyl)-1,3-dioxan-5-yl]methanol.
Chemical Property Profile of Penthrichloral
Property Insights of Penthrichloral
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Penthrichloral. With a topological polar surface area (TPSA) of 58.9 Ų, Penthrichloral exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Penthrichloral has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Penthrichloral?
The CAS number of Penthrichloral is 5684-90-2.
What is the molecular formula of Penthrichloral?
The molecular formula of Penthrichloral is C7H11Cl3O4.
What is the molecular weight of Penthrichloral?
The molecular weight of Penthrichloral is 263.97 g/mol.
Where can I buy Penthrichloral?
You can request a quote for Penthrichloral directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Penthrichloral?
Yes, KEHONG BIO provides custom synthesis services for Penthrichloral and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.