C17H13ClN4O4
TL;DR: C17H13ClN4O4 (CAS 1164476-34-9) is a chemical compound with molecular formula C17H13ClN4O4 and molecular weight 372.06253 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N'-(4-chlorophenyl)-N-[(3-hydroxy-2-benzofuran-1-yl)methylideneamino]-2-nitroethanimidamide
Also Known As: N''-(4-chlorophenyl)-2-nitro-N'-{[3-oxo-2-benzofuran-1(3H)-yliden]methyl}ethanimidohydrazide, N'-(4-chlorophenyl)-N-[(3-hydroxy-2-benzofuran-1-yl)methylideneamino]-2-nitroethanimidamide, (E)-N'-(4-chlorophenyl)-2-nitro-N-({[(1Z)-3-oxo-1,3-dihydro-2-benzofuran-1-ylidene]methyl}amino)ethanimidamide, N'-(4-chlorophenyl)-2-nitro-N-[[(Z)-(3-oxoisobenzofuran-1-ylidene)methyl]amino]acetamidine, N'-(4-Chlorophenyl)-N-[(E)-(3-hydroxy-2-benzofuran-1-yl)methylideneamino]-2-nitroethanimidamide
Technical Specifications
| Molecular Formula | C17H13ClN4O4 |
| Molecular Weight | 372.06253 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 116.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 372.06253 Da |
| Heavy Atoms | 26 |
| Complexity | 545.0 |
| SMILES | C1=CC2=C(OC(=C2C=C1)O)C=NNC(=NC3=CC=C(C=C3)Cl)C[N+](=O)[O-] |
| InChIKey | JOTHNPPFGOYORF-UHFFFAOYSA-N |
Chemical Property Profile of C17H13ClN4O4
Property Insights of C17H13ClN4O4
The XLogP value of 4.3 indicates that C17H13ClN4O4 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for C17H13ClN4O4. Following Lipinski's Rule of Five, C17H13ClN4O4 has 2 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 C17H13ClN4O4?
The CAS number of C17H13ClN4O4 is 1164476-34-9.
What is the molecular formula of C17H13ClN4O4?
The molecular formula of C17H13ClN4O4 is C17H13ClN4O4.
What is the molecular weight of C17H13ClN4O4?
The molecular weight of C17H13ClN4O4 is 372.06253 g/mol.
Where can I buy C17H13ClN4O4?
You can request a quote for C17H13ClN4O4 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C17H13ClN4O4?
Yes, CoreyChem provides custom synthesis services for C17H13ClN4O4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.