TL;DR: chromafenozide (CAS 143706-37-0) is a chemical compound with molecular formula C17H17N3O7 and molecular weight 375.10666 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2E,4E)-2-nitro-5-(6-nitro-1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one
Also Known As: chromafenozide, (E,E)-1-(2-Nitro-5-(6-nitro-1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)piperidine, 1-(5-(1,3-Benzodioxol-6-nitro-5-yl)-1-oxo-2-nitro-2(E),4(E)-pentadienyl)piperidine, Piperidine, 1-(2-nitro-5-(6-nitro-1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)-, (E,E)-, (2E,4E)-2-nitro-5-(6-nitro-1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one
| Molecular Formula | C17H17N3O7 |
| Molecular Weight | 375.10666 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 130.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 375.10666 Da |
| Heavy Atoms | 27 |
| Complexity | 646.0 |
| SMILES | C1CCN(CC1)C(=O)/C(=C\C=C\C2=CC3=C(C=C2[N+](=O)[O-])OCO3)/[N+](=O)[O-] |
| InChIKey | NBUXIWXBUCUEGI-UAWWFITHSA-N |
The XLogP value of 3.0 indicates that chromafenozide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for chromafenozide. Following Lipinski's Rule of Five, chromafenozide has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of chromafenozide is 143706-37-0.
The molecular formula of chromafenozide is C17H17N3O7.
The molecular weight of chromafenozide is 375.10666 g/mol.
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