7-Nitrobenz-2-oxa-1,3-diazole desferrioxamine B
TL;DR: 7-Nitrobenz-2-oxa-1,3-diazole desferrioxamine B (CAS 137756-28-6) is a chemical compound with molecular formula C31H49N9O11 and molecular weight 723.35516 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[5-[acetyl(hydroxy)amino]pentyl]-N'-hydroxy-N'-[5-[[4-[hydroxy-[5-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]pentyl]amino]-4-oxobutanoyl]amino]pentyl]butanediamide
Also Known As: Nbd-dfo, 7-Nitrobenz-2-oxa-1,3-diazole desferrioxamine B, 7-Nitrobenz-2-oxa-1,3-diazole-desferrioxamine (NBD-DFO), N-[5-[acetyl(hydroxy)amino]pentyl]-N'-hydroxy-N'-[5-[[4-[hydroxy-[5-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]pentyl]amino]-4-oxobutanoyl]amino]pentyl]butanediamide, Butanediamide, N'(5-((4-((5-(acetylhydroxyamino)pentyl)amino)-1,4-dioxobutyl)hydroxyamino)pentyl)-N-hydroxy-N-(5-((7-nitro-4-benzofuranyl)amino)pentyl)-
Technical Specifications
| Molecular Formula | C31H49N9O11 |
| Molecular Weight | 723.35516 g/mol |
| XLogP | -0.4 |
| Topological Polar Surface Area (TPSA) | 277.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 25 |
| Exact Mass | 723.35516 Da |
| Heavy Atoms | 51 |
| Complexity | 1110.0 |
| SMILES | CC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCNC1=CC=C(C2=NON=C12)[N+](=O)[O-])O)O)O |
| InChIKey | QJMCERSHHCUHFY-UHFFFAOYSA-N |
Chemical Property Profile of 7-Nitrobenz-2-oxa-1,3-diazole desferrioxamine B
Property Insights of 7-Nitrobenz-2-oxa-1,3-diazole desferrioxamine B
The XLogP value of -0.4 indicates that 7-Nitrobenz-2-oxa-1,3-diazole desferrioxamine B is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 277.0 Ų indicates high polarity, suggesting 7-Nitrobenz-2-oxa-1,3-diazole desferrioxamine B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 7-Nitrobenz-2-oxa-1,3-diazole desferrioxamine B has 6 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 7-Nitrobenz-2-oxa-1,3-diazole desferrioxamine B?
The CAS number of 7-Nitrobenz-2-oxa-1,3-diazole desferrioxamine B is 137756-28-6.
What is the molecular formula of 7-Nitrobenz-2-oxa-1,3-diazole desferrioxamine B?
The molecular formula of 7-Nitrobenz-2-oxa-1,3-diazole desferrioxamine B is C31H49N9O11.
What is the molecular weight of 7-Nitrobenz-2-oxa-1,3-diazole desferrioxamine B?
The molecular weight of 7-Nitrobenz-2-oxa-1,3-diazole desferrioxamine B is 723.35516 g/mol.
Where can I buy 7-Nitrobenz-2-oxa-1,3-diazole desferrioxamine B?
You can request a quote for 7-Nitrobenz-2-oxa-1,3-diazole desferrioxamine B directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 7-Nitrobenz-2-oxa-1,3-diazole desferrioxamine B?
Yes, CoreyChem provides custom synthesis services for 7-Nitrobenz-2-oxa-1,3-diazole desferrioxamine B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.