Nidulin
TL;DR: Nidulin (CAS 1402-15-9) is a chemical compound with molecular formula C20H17Cl3O5 and molecular weight 442.01416 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(E)-but-2-en-2-yl]-2,8,10-trichloro-9-hydroxy-3-methoxy-4,7-dimethylbenzo[b][1,4]benzodioxepin-6-one
Also Known As: Nidulin, Methylustin, O-Methylustin, Ustin methyl ether, Nidulin [MI]
Technical Specifications
| Molecular Formula | C20H17Cl3O5 |
| Molecular Weight | 442.01416 g/mol |
| XLogP | 6.8 |
| Topological Polar Surface Area (TPSA) | 65.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 442.01416 Da |
| Heavy Atoms | 28 |
| Complexity | 629.0 |
| SMILES | C/C=C(\C)/C1=C2C(=C(C(=C1Cl)OC)C)OC(=O)C3=C(C(=C(C(=C3O2)Cl)O)Cl)C |
| InChIKey | FSINAZMQWFDQSD-VOTSOKGWSA-N |
Chemical Property Profile of Nidulin
Property Insights of Nidulin
The XLogP value of 6.8 indicates that Nidulin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Nidulin. Following Lipinski's Rule of Five, Nidulin has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Nidulin?
The CAS number of Nidulin is 1402-15-9.
What is the molecular formula of Nidulin?
The molecular formula of Nidulin is C20H17Cl3O5.
What is the molecular weight of Nidulin?
The molecular weight of Nidulin is 442.01416 g/mol.
Where can I buy Nidulin?
You can request a quote for Nidulin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Nidulin?
Yes, CoreyChem provides custom synthesis services for Nidulin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.