Pentamidine Isethionate
TL;DR: Pentamidine Isethionate (CAS 140-64-7) is a chemical compound with molecular formula C23H36N4O10S2 and molecular weight 592.18726 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide;bis(2-hydroxyethanesulfonic acid)
Also Known As: PENTAMIDINE ISETHIONATE, Pentacarinat, Pentamidine diisethionate, Nebupent, Pentamidine isetionate
Application Areas
Top 5 of 14 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C23H36N4O10S2 |
| Molecular Weight | 592.18726 g/mol |
| XLogP | 0.62 |
| Topological Polar Surface Area (TPSA) | 284.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 14 |
| Exact Mass | 592.18726 Da |
| Heavy Atoms | 39 |
| Complexity | 493.0 |
| Melting Point | 370 to 378 °F (NTP, 1992) |
| Solubility | greater than or equal to 100 mg/mL at 66 °F (NTP, 1992) |
| SMILES | C1=CC(=CC=C1C(=N)N)OCCCCCOC2=CC=C(C=C2)C(=N)N.C(CS(=O)(=O)O)O.C(CS(=O)(=O)O)O |
| InChIKey | YBVNFKZSMZGRAD-UHFFFAOYSA-N |
Product Description
Applications: Pentamidine Isethionate is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A pharmaceutical intermediate supplied by CoreyChem, Pentamidine Isethionate (CAS 140-64-7) has the molecular formula C23H36N4O10S2 and a molecular weight of 592.19 g/mol. Reported properties include a solubility: greater than or equal to 100 mg/mL at 66 °F (NTP, 1992). Synonyms include PENTAMIDINE ISETHIONATE and Pentacarinat.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Pentamidine Isethionate
Property Insights of Pentamidine Isethionate
The XLogP value of 0.62 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentamidine Isethionate. The TPSA of 284.0 Ų indicates high polarity, suggesting Pentamidine Isethionate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pentamidine Isethionate has 8 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Pentamidine Isethionate?
The CAS number of Pentamidine Isethionate is 140-64-7.
What is the molecular formula of Pentamidine Isethionate?
The molecular formula of Pentamidine Isethionate is C23H36N4O10S2.
What is the molecular weight of Pentamidine Isethionate?
The molecular weight of Pentamidine Isethionate is 592.18726 g/mol.
What are the applications of Pentamidine Isethionate?
Pentamidine Isethionate is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy Pentamidine Isethionate?
You can request a quote for Pentamidine Isethionate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pentamidine Isethionate?
Yes, CoreyChem provides custom synthesis services for Pentamidine Isethionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.