AE-411/41415644
TL;DR: AE-411/41415644 (CAS 61995-29-7) is a chemical compound with molecular formula C12H7Cl2NOS and molecular weight 282.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,6-dichlorophenyl)-2-sulfanylidenepyridine-3-carbaldehyde
Also Known As: 1-(2,6-dichlorophenyl)-2-sulfanylidenepyridine-3-carbaldehyde, 3-Pyridinecarboxaldehyde, 1-(2,6-dichlorophenyl)-1,2-dihydro-2-thioxo-, AE-411/41415644, 3-Formyl-1-(2,6-dichlorophenyl)-2-(1H)-pyridinethione, 1-(2,6-dichlorophenyl)-2-thioxo-pyridine-3-carbaldehyde
| Molecular Formula | C12H7Cl2NOS |
|---|---|
| Molecular Weight | 282.96 g/mol |
| LogP | 4.32609 |
| Topological Polar Surface Area | 22.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 282.96255 |
| Heavy Atoms | 17 |
| Complexity | 616.393 |
Chemical Identifiers
| CAS Number | 61995-29-7 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)N2C=CC=C(C2=S)C=O)Cl |
Product Overview
AE-411/41415644 (CAS 61995-29-7), with molecular formula C12H7Cl2NOS and molecular weight 282.96 g/mol. IUPAC: 1-(2,6-dichlorophenyl)-2-sulfanylidenepyridine-3-carbaldehyde.
Chemical Property Profile of AE-411/41415644
Property Insights of AE-411/41415644
The XLogP value of 4.32609 indicates that AE-411/41415644 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 22.0 Ų, AE-411/41415644 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AE-411/41415644 has 0 hydrogen bond donor(s) and 2 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 AE-411/41415644?
The CAS number of AE-411/41415644 is 61995-29-7.
What is the molecular formula of AE-411/41415644?
The molecular formula of AE-411/41415644 is C12H7Cl2NOS.
What is the molecular weight of AE-411/41415644?
The molecular weight of AE-411/41415644 is 282.96 g/mol.
Where can I buy AE-411/41415644?
You can request a quote for AE-411/41415644 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-411/41415644?
Yes, KEHONG BIO provides custom synthesis services for AE-411/41415644 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.