AB00116544-01
TL;DR: AB00116544-01 (CAS 431922-83-7) is a chemical compound with molecular formula C22H23N3O5S and molecular weight 441.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,4-dimethylphenyl)-2-[(5E)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
Also Known As: AB00116544-01, N-(3,4-dimethylphenyl)-2-[(5E)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide, N-(3,4-dimethylphenyl)-2-[(5E)-5-{[5-(morpholin-4-yl)furan-2-yl]methylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide, N-(3,4-dimethylphenyl)-2-{5-[(5-morpholin-4-yl(2-furyl))methylene]-2,4-dioxo(1 ,3-thiazolidin-3-yl)}acetamide
| Molecular Formula | C22H23N3O5S |
|---|---|
| Molecular Weight | 441.14 g/mol |
| LogP | 3.40804 |
| Topological Polar Surface Area | 92.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 441.13583 |
| Heavy Atoms | 31 |
| Complexity | 1055.1659 |
Chemical Identifiers
| CAS Number | 431922-83-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)CN2C(=O)/C(=C\C3=CC=C(O3)N4CCOCC4)/SC2=O)C |
Product Overview
AB00116544-01 (CAS 431922-83-7), with molecular formula C22H23N3O5S and molecular weight 441.14 g/mol. IUPAC: N-(3,4-dimethylphenyl)-2-[(5E)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide.
Chemical Property Profile of AB00116544-01
Property Insights of AB00116544-01
The XLogP value of 3.40804 indicates that AB00116544-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.09 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00116544-01. Following Lipinski's Rule of Five, AB00116544-01 has 1 hydrogen bond donor(s) and 7 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 AB00116544-01?
The CAS number of AB00116544-01 is 431922-83-7.
What is the molecular formula of AB00116544-01?
The molecular formula of AB00116544-01 is C22H23N3O5S.
What is the molecular weight of AB00116544-01?
The molecular weight of AB00116544-01 is 441.14 g/mol.
Where can I buy AB00116544-01?
You can request a quote for AB00116544-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00116544-01?
Yes, KEHONG BIO provides custom synthesis services for AB00116544-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.