Diploicin
TL;DR: Diploicin (CAS 527-93-5) is a chemical compound with molecular formula C16H10Cl4O5 and molecular weight 421.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,8,10-tetrachloro-9-hydroxy-3-methoxy-1,7-dimethylbenzo[b][1,4]benzodioxepin-6-one
Also Known As: Diploicin, Diploicine, DIPLOICIN [MI], Spectrum4_001990, 2,4,7,9-Tetrachloro-3-hydroxy-8-methoxy-1,6-dimethyl-11H-dibenzo[b,E][1,4]dioxepin-11-one
| Molecular Formula | C16H10Cl4O5 |
|---|---|
| Molecular Weight | 421.93 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 65.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 423.9253 |
| Heavy Atoms | 25 |
| Complexity | 523.0 |
Chemical Identifiers
| CAS Number | 527-93-5 |
|---|---|
| SMILES | CC1=C2C(=C(C(=C1Cl)O)Cl)OC3=C(C(=C(C(=C3OC2=O)Cl)OC)Cl)C |
| InChIKey | AXZCNBVMHHTPKA-UHFFFAOYSA-N |
Product Overview
Diploicin (CAS 527-93-5), with molecular formula C16H10Cl4O5 and molecular weight 421.93 g/mol. IUPAC: 2,4,8,10-tetrachloro-9-hydroxy-3-methoxy-1,7-dimethylbenzo[b][1,4]benzodioxepin-6-one.
Chemical Property Profile of Diploicin
Property Insights of Diploicin
The XLogP value of 5.8 indicates that Diploicin 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 Diploicin. Following Lipinski's Rule of Five, Diploicin 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 Diploicin?
The CAS number of Diploicin is 527-93-5.
What is the molecular formula of Diploicin?
The molecular formula of Diploicin is C16H10Cl4O5.
What is the molecular weight of Diploicin?
The molecular weight of Diploicin is 421.93 g/mol.
Where can I buy Diploicin?
You can request a quote for Diploicin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diploicin?
Yes, KEHONG BIO provides custom synthesis services for Diploicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.