Nodularin
TL;DR: Nodularin (CAS 118399-22-7) is a chemical compound with molecular formula C41H60N8O10 and molecular weight 824.44 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C41H60N8O10 |
|---|---|
| Molecular Weight | 824.44 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 285.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 13 |
| Exact Mass | 824.44324 |
| Heavy Atoms | 59 |
| Complexity | 1620.0 |
Chemical Identifiers
| CAS Number | 118399-22-7 |
|---|---|
| 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 |
Product Overview
Nodularin (CAS 118399-22-7), with molecular formula C41H60N8O10 and molecular weight 824.44 g/mol. IUPAC: 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.
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
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 824.44 g/mol.
Where can I buy Nodularin?
You can request a quote for Nodularin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nodularin?
Yes, KEHONG BIO provides custom synthesis services for Nodularin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.