Diethylcarbamazine Citrate
TL;DR: Diethylcarbamazine Citrate (CAS 1642-54-2) is a chemical compound with molecular formula C16H29N3O8 and molecular weight 391.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethyl-4-methylpiperazine-1-carboxamide;2-hydroxypropane-1,2,3-tricarboxylic acid
Also Known As: DIETHYLCARBAMAZINE CITRATE, Hetrazan, Loxuran, Dicarocide, Franocide
| Molecular Formula | C16H29N3O8 |
|---|---|
| Molecular Weight | 391.20 g/mol |
| LogP | -0.55 |
| Topological Polar Surface Area | 159.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 391.19547 |
| Heavy Atoms | 27 |
| Complexity | 411.0 |
| Melting Point | 286 to 142.8 °C |
| Solubility | > 75% in water @ 20 °C |
Chemical Identifiers
| CAS Number | 1642-54-2 |
|---|---|
| SMILES | CCN(CC)C(=O)N1CCN(CC1)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
| InChIKey | PGNKBEARDDELNB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethylcarbamazine Citrate (CAS 1642-54-2), with molecular formula C16H29N3O8 and molecular weight 391.20 g/mol. IUPAC: N,N-diethyl-4-methylpiperazine-1-carboxamide;2-hydroxypropane-1,2,3-tricarboxylic acid.
Chemical Property Profile of Diethylcarbamazine Citrate
Property Insights of Diethylcarbamazine Citrate
The XLogP value of -0.55 indicates that Diethylcarbamazine Citrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 159.0 Ų indicates high polarity, suggesting Diethylcarbamazine Citrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Diethylcarbamazine Citrate has 4 hydrogen bond donor(s) and 9 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 Diethylcarbamazine Citrate?
The CAS number of Diethylcarbamazine Citrate is 1642-54-2.
What is the molecular formula of Diethylcarbamazine Citrate?
The molecular formula of Diethylcarbamazine Citrate is C16H29N3O8.
What is the molecular weight of Diethylcarbamazine Citrate?
The molecular weight of Diethylcarbamazine Citrate is 391.20 g/mol.
Where can I buy Diethylcarbamazine Citrate?
You can request a quote for Diethylcarbamazine Citrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethylcarbamazine Citrate?
Yes, KEHONG BIO provides custom synthesis services for Diethylcarbamazine Citrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.