Nidulin
TL;DR: Nidulin (CAS 1402-15-9) is a chemical compound with molecular formula C20H17Cl3O5 and molecular weight 442.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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]
| Molecular Formula | C20H17Cl3O5 |
|---|---|
| Molecular Weight | 442.01 g/mol |
| LogP | 6.72594 |
| Topological Polar Surface Area | 64.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 442.01416 |
| Heavy Atoms | 28 |
| Complexity | 1057.2725 |
Chemical Identifiers
| CAS Number | 1402-15-9 |
|---|---|
| SMILES | C/C=C(\C)/C1=C2C(=C(C(=C1Cl)OC)C)OC(=O)C3=C(C(=C(C(=C3O2)Cl)O)Cl)C |
Product Overview
Nidulin (CAS 1402-15-9), with molecular formula C20H17Cl3O5 and molecular weight 442.01 g/mol. IUPAC: 1-[(E)-but-2-en-2-yl]-2,8,10-trichloro-9-hydroxy-3-methoxy-4,7-dimethylbenzo[b][1,4]benzodioxepin-6-one.
Chemical Property Profile of Nidulin
Property Insights of Nidulin
The XLogP value of 6.72594 indicates that Nidulin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.99 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
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 442.01 g/mol.
Where can I buy Nidulin?
You can request a quote for Nidulin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nidulin?
Yes, KEHONG BIO provides custom synthesis services for Nidulin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.