Dihydronodularin
TL;DR: Dihydronodularin (CAS 146109-35-5) is a chemical compound with molecular formula C41H62N8O10 and molecular weight 826.45886 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
9-[3-(diaminomethylideneamino)propyl]-2-ethyl-12-[(1E,3E)-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: Dihydronodularin, (D-MeAbu5)nodularin, (MeAbu(5))nodularin, (L-MeAbu5)nodularin, 9-[3-(diaminomethylideneamino)propyl]-2-ethyl-12-[(1E,3E)-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
Technical Specifications
| Molecular Formula | C41H62N8O10 |
| Molecular Weight | 826.45886 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 285.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 14 |
| Exact Mass | 826.45886 Da |
| Heavy Atoms | 59 |
| Complexity | 1560.0 |
| SMILES | CCC1C(=O)NC(C(C(=O)NC(C(=O)NC(C(C(=O)NC(CCC(=O)N1C)C(=O)O)C)/C=C/C(=C/C(C)C(CC2=CC=CC=C2)OC)/C)CCCN=C(N)N)C)C(=O)O |
| InChIKey | RLFXWEJNSCUBRW-ASMFZGAFSA-N |
Chemical Property Profile of Dihydronodularin
Property Insights of Dihydronodularin
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dihydronodularin. The TPSA of 285.0 Ų indicates high polarity, suggesting Dihydronodularin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dihydronodularin 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 Dihydronodularin?
The CAS number of Dihydronodularin is 146109-35-5.
What is the molecular formula of Dihydronodularin?
The molecular formula of Dihydronodularin is C41H62N8O10.
What is the molecular weight of Dihydronodularin?
The molecular weight of Dihydronodularin is 826.45886 g/mol.
Where can I buy Dihydronodularin?
You can request a quote for Dihydronodularin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Dihydronodularin?
Yes, CoreyChem provides custom synthesis services for Dihydronodularin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.