AB00100561-01
TL;DR: AB00100561-01 (CAS 292640-62-1) is a chemical compound with molecular formula C16H13N3O3S2 and molecular weight 359.03983 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5E)-5-[[2,5-dimethyl-1-(4-nitrophenyl)pyrrol-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: AB00100561-01, (5E)-5-[[2,5-dimethyl-1-(4-nitrophenyl)pyrrol-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, (5E)-5-{[2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one, (E)-5-((2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrol-3-yl)methylene)-2-thioxothiazolidin-4-one
Technical Specifications
| Molecular Formula | C16H13N3O3S2 |
| Molecular Weight | 359.03983 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 137.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 359.03983 Da |
| Heavy Atoms | 24 |
| Complexity | 582.0 |
| SMILES | CC1=CC(=C(N1C2=CC=C(C=C2)[N+](=O)[O-])C)/C=C/3\C(=O)NC(=S)S3 |
| InChIKey | PVEAHQYFKKGFKQ-RIYZIHGNSA-N |
Chemical Property Profile of AB00100561-01
Property Insights of AB00100561-01
The XLogP value of 3.8 indicates that AB00100561-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00100561-01. Following Lipinski's Rule of Five, AB00100561-01 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of AB00100561-01?
The CAS number of AB00100561-01 is 292640-62-1.
What is the molecular formula of AB00100561-01?
The molecular formula of AB00100561-01 is C16H13N3O3S2.
What is the molecular weight of AB00100561-01?
The molecular weight of AB00100561-01 is 359.03983 g/mol.
Where can I buy AB00100561-01?
You can request a quote for AB00100561-01 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for AB00100561-01?
Yes, CoreyChem provides custom synthesis services for AB00100561-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.