A3412/0144752
TL;DR: A3412/0144752 (CAS 1042696-44-5) is a chemical compound with molecular formula C22H24ClN3O3S and molecular weight 445.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[(2-chlorophenyl)methyl]-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(3-ethoxyphenyl)acetamide
Also Known As: A3412/0144752, 2-[3-(2-chlorobenzyl)-1-ethyl-5-oxo-2-thioxoimidazolidin-4-yl]-N-(3-ethoxyphenyl)acetamide, 2-[3-[(2-chlorophenyl)methyl]-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(3-ethoxyphenyl)acetamide, 2-(3-(2-chlorobenzyl)-1-ethyl-5-oxo-2-thioxoimidazolidin-4-yl)-N-(3-ethoxyphenyl)acetamide, 2-{3-[(2-CHLOROPHENYL)METHYL]-1-ETHYL-5-OXO-2-SULFANYLIDENEIMIDAZOLIDIN-4-YL}-N-(3-ETHOXYPHENYL)ACETAMIDE
| Molecular Formula | C22H24ClN3O3S |
|---|---|
| Molecular Weight | 445.12 g/mol |
| LogP | 4.0851 |
| Topological Polar Surface Area | 61.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 445.12268 |
| Heavy Atoms | 30 |
| Complexity | 952.7299 |
Chemical Identifiers
| CAS Number | 1042696-44-5 |
|---|---|
| SMILES | CCN1C(=O)C(N(C1=S)CC2=CC=CC=C2Cl)CC(=O)NC3=CC(=CC=C3)OCC |
Product Overview
A3412/0144752 (CAS 1042696-44-5), with molecular formula C22H24ClN3O3S and molecular weight 445.12 g/mol. IUPAC: 2-[3-[(2-chlorophenyl)methyl]-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(3-ethoxyphenyl)acetamide.
Chemical Property Profile of A3412/0144752
Property Insights of A3412/0144752
The XLogP value of 4.0851 indicates that A3412/0144752 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.88 Ų falls within the moderate polarity range, balancing permeability and solubility for A3412/0144752. Following Lipinski's Rule of Five, A3412/0144752 has 1 hydrogen bond donor(s) and 4 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 A3412/0144752?
The CAS number of A3412/0144752 is 1042696-44-5.
What is the molecular formula of A3412/0144752?
The molecular formula of A3412/0144752 is C22H24ClN3O3S.
What is the molecular weight of A3412/0144752?
The molecular weight of A3412/0144752 is 445.12 g/mol.
Where can I buy A3412/0144752?
You can request a quote for A3412/0144752 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3412/0144752?
Yes, KEHONG BIO provides custom synthesis services for A3412/0144752 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.