Ipexidine
TL;DR: Ipexidine (CAS 69017-89-6) is a chemical compound with molecular formula C26H54N10O2 and molecular weight 538.44 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[N'-[3-[4-[3-[[amino-(hexylcarbamoylamino)methylidene]amino]propyl]piperazin-1-yl]propyl]carbamimidoyl]-3-hexylurea
Also Known As: IPEXIDINE, Ipexidine [INN], ipexidina, ipexidinum, 1-[N'-[3-[4-[3-[[amino-(hexylcarbamoylamino)methylidene]amin
| Molecular Formula | C26H54N10O2 |
|---|---|
| Molecular Weight | 538.44 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 166.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 20 |
| Exact Mass | 538.4431 |
| Heavy Atoms | 38 |
| Complexity | 636.0 |
Chemical Identifiers
| CAS Number | 69017-89-6 |
|---|---|
| SMILES | CCCCCCNC(=O)NC(=NCCCN1CCN(CC1)CCCN=C(N)NC(=O)NCCCCCC)N |
| InChIKey | OKWNVUAQDQVEOQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ipexidine (CAS 69017-89-6), with molecular formula C26H54N10O2 and molecular weight 538.44 g/mol. IUPAC: 1-[N'-[3-[4-[3-[[amino-(hexylcarbamoylamino)methylidene]amino]propyl]piperazin-1-yl]propyl]carbamimidoyl]-3-hexylurea.
Chemical Property Profile of Ipexidine
Property Insights of Ipexidine
The XLogP value of 3.5 indicates that Ipexidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 166.0 Ų indicates high polarity, suggesting Ipexidine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ipexidine has 6 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ipexidine?
The CAS number of Ipexidine is 69017-89-6.
What is the molecular formula of Ipexidine?
The molecular formula of Ipexidine is C26H54N10O2.
What is the molecular weight of Ipexidine?
The molecular weight of Ipexidine is 538.44 g/mol.
Where can I buy Ipexidine?
You can request a quote for Ipexidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ipexidine?
Yes, KEHONG BIO provides custom synthesis services for Ipexidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.