AA-1 cation
TL;DR: AA-1 cation (CAS 126172-94-9) is a chemical compound with molecular formula C25H24N3S+ and molecular weight 398.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[2,6-bis(4-aminophenyl)thiopyran-4-ylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium
Also Known As: AA-1 cation, AA-001 cation, AA1 Cation, Thiopyrylium, 2,6-bis(4-aminophenyl)-4-(4-(dimethylamino)phenyl)-, [4-[2,6-bis(4-aminophenyl)thiopyran-4-ylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium
| Molecular Formula | C25H24N3S+ |
|---|---|
| Molecular Weight | 398.17 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 80.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 398.1691 |
| Heavy Atoms | 29 |
| Complexity | 749.0 |
Chemical Identifiers
| CAS Number | 126172-94-9 |
|---|---|
| SMILES | C[N+](=C1C=CC(=C2C=C(SC(=C2)C3=CC=C(C=C3)N)C4=CC=C(C=C4)N)C=C1)C |
| InChIKey | PKLOZHIGRZQGTI-UHFFFAOYSA-O |
Product Overview
AA-1 cation (CAS 126172-94-9), with molecular formula C25H24N3S+ and molecular weight 398.17 g/mol. IUPAC: [4-[2,6-bis(4-aminophenyl)thiopyran-4-ylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium.
Chemical Property Profile of AA-1 cation
Property Insights of AA-1 cation
The XLogP value of 3.8 indicates that AA-1 cation is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.4 Ų falls within the moderate polarity range, balancing permeability and solubility for AA-1 cation. Following Lipinski's Rule of Five, AA-1 cation has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AA-1 cation?
The CAS number of AA-1 cation is 126172-94-9.
What is the molecular formula of AA-1 cation?
The molecular formula of AA-1 cation is C25H24N3S+.
What is the molecular weight of AA-1 cation?
The molecular weight of AA-1 cation is 398.17 g/mol.
Where can I buy AA-1 cation?
You can request a quote for AA-1 cation directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AA-1 cation?
Yes, KEHONG BIO provides custom synthesis services for AA-1 cation and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.