AB00098054-01
TL;DR: AB00098054-01 (CAS 1334432-18-6) is a chemical compound with molecular formula C15H8ClN3O5S and molecular weight 376.9873 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5Z)-1-(4-chlorophenyl)-5-[(5-nitrofuran-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: AB00098054-01, (5Z)-1-(4-chlorophenyl)-5-[(5-nitrofuran-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, (Z)-1-(4-chlorophenyl)-5-((5-nitrofuran-2-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 1-(4-chlorophenyl)-5-[(5-nitro-2-furyl)methylene]-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Technical Specifications
| Molecular Formula | C15H8ClN3O5S |
| Molecular Weight | 376.9873 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 140.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 376.9873 Da |
| Heavy Atoms | 25 |
| Complexity | 642.0 |
| SMILES | C1=CC(=CC=C1N2C(=O)/C(=C\C3=CC=C(O3)[N+](=O)[O-])/C(=O)NC2=S)Cl |
| InChIKey | ARYRBCNUKOYMQZ-XFFZJAGNSA-N |
Chemical Property Profile of AB00098054-01
Property Insights of AB00098054-01
The XLogP value of 3.2 indicates that AB00098054-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 140.0 Ų indicates high polarity, suggesting AB00098054-01 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, AB00098054-01 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of AB00098054-01?
The CAS number of AB00098054-01 is 1334432-18-6.
What is the molecular formula of AB00098054-01?
The molecular formula of AB00098054-01 is C15H8ClN3O5S.
What is the molecular weight of AB00098054-01?
The molecular weight of AB00098054-01 is 376.9873 g/mol.
Where can I buy AB00098054-01?
You can request a quote for AB00098054-01 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for AB00098054-01?
Yes, CoreyChem provides custom synthesis services for AB00098054-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.