阿来西定
TL;DR: 阿来西定 (CAS 22573-93-9) is a chemical compound with molecular formula C26H56N10 and molecular weight 508.47 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
阿来西定
1-[N'-[6-[[amino-[[N'-(2-ethylhexyl)carbamimidoyl]amino]methylidene]amino]hexyl]carbamimidoyl]-2-(2-ethylhexyl)guanidine
Also Known As: alexidine, Alexidine dihydrochloride, Bisguadine, Alexidina, Alexidinum
| Molecular Formula | C26H56N10 |
|---|---|
| Molecular Weight | 508.47 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 178.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 23 |
| Exact Mass | 508.46893 |
| Heavy Atoms | 36 |
| Complexity | 601.0 |
Chemical Identifiers
| CAS Number | 22573-93-9 |
|---|---|
| SMILES | CCCCC(CC)CN=C(N)NC(=NCCCCCCN=C(N)NC(=NCC(CC)CCCC)N)N |
| InChIKey | LFVVNPBBFUSSHL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
阿来西定 (CAS 22573-93-9), with molecular formula C26H56N10 and molecular weight 508.47 g/mol. IUPAC: 1-[N'-[6-[[amino-[[N'-(2-ethylhexyl)carbamimidoyl]amino]methylidene]amino]hexyl]carbamimidoyl]-2-(2-ethylhexyl)guanidine.
Chemical Property Profile of 阿来西定
Property Insights of 阿来西定
The XLogP value of 4.3 indicates that 阿来西定 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 178.0 Ų indicates high polarity, suggesting 阿来西定 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 阿来西定 has 6 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 阿来西定?
The CAS number of 阿来西定 is 22573-93-9.
What is the molecular formula of 阿来西定?
The molecular formula of 阿来西定 is C26H56N10.
What is the molecular weight of 阿来西定?
The molecular weight of 阿来西定 is 508.47 g/mol.
Where can I buy 阿来西定?
You can request a quote for 阿来西定 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 阿来西定?
Yes, KEHONG BIO provides custom synthesis services for 阿来西定 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.