Acoin
TL;DR: Acoin (CAS 537-05-3) is a chemical compound with molecular formula C23H26ClN3O3 and molecular weight 427.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-ethoxyphenyl)-1,3-bis(4-methoxyphenyl)guanidine;hydrochloride
Also Known As: Acoin, Guanicaine, Phenodianisyl, Acoine, Acoin hydrochloride
| Molecular Formula | C23H26ClN3O3 |
|---|---|
| Molecular Weight | 427.17 g/mol |
| LogP | 5.74 |
| Topological Polar Surface Area | 64.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 427.16626 |
| Heavy Atoms | 30 |
| Complexity | 450.0 |
Chemical Identifiers
| CAS Number | 537-05-3 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N=C(NC2=CC=C(C=C2)OC)NC3=CC=C(C=C3)OC.Cl |
| InChIKey | ZQWBGSZBBGYKNV-UHFFFAOYSA-N |
Product Overview
Acoin (CAS 537-05-3), with molecular formula C23H26ClN3O3 and molecular weight 427.17 g/mol. IUPAC: 2-(4-ethoxyphenyl)-1,3-bis(4-methoxyphenyl)guanidine;hydrochloride.
Chemical Property Profile of Acoin
Property Insights of Acoin
The XLogP value of 5.74 indicates that Acoin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Acoin. Following Lipinski's Rule of Five, Acoin has 3 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 Acoin?
The CAS number of Acoin is 537-05-3.
What is the molecular formula of Acoin?
The molecular formula of Acoin is C23H26ClN3O3.
What is the molecular weight of Acoin?
The molecular weight of Acoin is 427.17 g/mol.
Where can I buy Acoin?
You can request a quote for Acoin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acoin?
Yes, KEHONG BIO provides custom synthesis services for Acoin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.