7-Nitrobenz-2-oxa-1,3-diazole-phallacidin
TL;DR: 7-Nitrobenz-2-oxa-1,3-diazole-phallacidin (CAS 73413-78-2) is a chemical compound with molecular formula C45H57N13O15S and molecular weight 1051.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[28-(2,3-dihydroxy-2-methylpropyl)-18-hydroxy-23-methyl-15,21,24,26,29,32,35-heptaoxo-31-propan-2-yl-12-thia-10,16,22,25,27,30,33,36-octazapentacyclo[12.11.11.03,11.04,9.016,20]hexatriaconta-3(11),4,6,8-tetraen-34-yl]-2-hydroxy-N-[2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]ethyl]acetamide
Also Known As: Nbd-phallicidin, Nbd-Ph, NBD phallacidin, NBODP, Nitrobenzoxadiazole-phallacidin
| Molecular Formula | C45H57N13O15S |
|---|---|
| Molecular Weight | 1051.38 g/mol |
| LogP | -3.4568 |
| Topological Polar Surface Area | 414.81 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 11 |
| Exact Mass | 1051.3818 |
| Heavy Atoms | 74 |
| Complexity | 2839.3352 |
Chemical Identifiers
| CAS Number | 73413-78-2 |
|---|---|
| SMILES | CC1C(=O)NC2CC3=C(NC4=CC=CC=C34)SCC(C(=O)N5CC(CC5C(=O)N1)O)NC(=O)C(NC(=O)C(NC(=O)C(NC2=O)CC(C)(CO)O)C(C)C)C(C(=O)NCCNC6=CC=C(C7=NON=C67)[N+](=O)[O-])O |
Product Overview
7-Nitrobenz-2-oxa-1,3-diazole-phallacidin (CAS 73413-78-2), with molecular formula C45H57N13O15S and molecular weight 1051.38 g/mol. IUPAC: 2-[28-(2,3-dihydroxy-2-methylpropyl)-18-hydroxy-23-methyl-15,21,24,26,29,32,35-heptaoxo-31-propan-2-yl-12-thia-10,16,22,25,27,30,33,36-octazapentacyclo[12.11.11.03,11.04,9.016,20]hexatriaconta-3(11),4,6,8-tetraen-34-yl]-2-hydroxy-N-[2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]ethyl]acetamide.
Chemical Property Profile of 7-Nitrobenz-2-oxa-1,3-diazole-phallacidin
Property Insights of 7-Nitrobenz-2-oxa-1,3-diazole-phallacidin
The XLogP value of -3.4568 indicates that 7-Nitrobenz-2-oxa-1,3-diazole-phallacidin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 414.81 Ų indicates high polarity, suggesting 7-Nitrobenz-2-oxa-1,3-diazole-phallacidin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 7-Nitrobenz-2-oxa-1,3-diazole-phallacidin has 13 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 7-Nitrobenz-2-oxa-1,3-diazole-phallacidin?
The CAS number of 7-Nitrobenz-2-oxa-1,3-diazole-phallacidin is 73413-78-2.
What is the molecular formula of 7-Nitrobenz-2-oxa-1,3-diazole-phallacidin?
The molecular formula of 7-Nitrobenz-2-oxa-1,3-diazole-phallacidin is C45H57N13O15S.
What is the molecular weight of 7-Nitrobenz-2-oxa-1,3-diazole-phallacidin?
The molecular weight of 7-Nitrobenz-2-oxa-1,3-diazole-phallacidin is 1051.38 g/mol.
Where can I buy 7-Nitrobenz-2-oxa-1,3-diazole-phallacidin?
You can request a quote for 7-Nitrobenz-2-oxa-1,3-diazole-phallacidin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Nitrobenz-2-oxa-1,3-diazole-phallacidin?
Yes, KEHONG BIO provides custom synthesis services for 7-Nitrobenz-2-oxa-1,3-diazole-phallacidin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.