Pentamidine Isethionate
TL;DR: Pentamidine Isethionate (CAS 140-64-7) is a chemical compound with molecular formula C23H36N4O10S2 and molecular weight 592.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide;bis(2-hydroxyethanesulfonic acid)
Also Known As: PENTAMIDINE ISETHIONATE, Pentacarinat, Pentamidine diisethionate, Nebupent, Pentamidine isetionate
| Molecular Formula | C23H36N4O10S2 |
|---|---|
| Molecular Weight | 592.19 g/mol |
| LogP | 0.62 |
| Topological Polar Surface Area | 284.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 14 |
| Exact Mass | 592.18726 |
| Heavy Atoms | 39 |
| Complexity | 493.0 |
| Melting Point | 370 to 192.2 °C |
| Solubility | greater than or equal to 100 mg/mL at 66 °F (NTP, 1992) |
Chemical Identifiers
| CAS Number | 140-64-7 |
|---|---|
| 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 |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pentamidine Isethionate (CAS 140-64-7), with molecular formula C23H36N4O10S2 and molecular weight 592.19 g/mol. IUPAC: 4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide;bis(2-hydroxyethanesulfonic acid).
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
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 592.19 g/mol.
Where can I buy Pentamidine Isethionate?
You can request a quote for Pentamidine Isethionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentamidine Isethionate?
Yes, KEHONG BIO provides custom synthesis services for Pentamidine Isethionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.