Nodularin
TL;DR: Nodularin (CAS 118399-22-7) is a chemical compound with molecular formula C41H60N8O10 and molecular weight 824.44324 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
9-[3-(diaminomethylideneamino)propyl]-2-ethylidene-12-(6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl)-1,6,13-trimethyl-3,7,10,14,19-pentaoxo-1,4,8,11,15-pentazacyclononadecane-5,16-dicarboxylic acid
Also Known As: Nodularin, 2-ethylidene-9-(3-guanidinopropyl)-12-(6-methoxy-3,5-dimethyl-7-phenyl-hepta-1,3-dienyl)-1,6,13-trimethyl-3,7,10,14,19-pentaoxo-1,4,8,11,15-pentazacyclononadecane-5,16-dicarboxylic acid, C41H60N8O10
Technical Specifications
| Molecular Formula | C41H60N8O10 |
| Molecular Weight | 824.44324 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 285.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 13 |
| Exact Mass | 824.44324 Da |
| Heavy Atoms | 59 |
| Complexity | 1620.0 |
| SMILES | CC=C1C(=O)NC(C(C(=O)NC(C(=O)NC(C(C(=O)NC(CCC(=O)N1C)C(=O)O)C)C=CC(=CC(C)C(CC2=CC=CC=C2)OC)C)CCCN=C(N)N)C)C(=O)O |
| InChIKey | IXBQSRWSVIBXNC-UHFFFAOYSA-N |
Chemical Property Profile of Nodularin
Property Insights of Nodularin
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nodularin. The TPSA of 285.0 Ų indicates high polarity, suggesting Nodularin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Nodularin has 8 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Nodularin?
The CAS number of Nodularin is 118399-22-7.
What is the molecular formula of Nodularin?
The molecular formula of Nodularin is C41H60N8O10.
What is the molecular weight of Nodularin?
The molecular weight of Nodularin is 824.44324 g/mol.
Where can I buy Nodularin?
You can request a quote for Nodularin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Nodularin?
Yes, CoreyChem provides custom synthesis services for Nodularin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.