Dechlorane Plus
TL;DR: Dechlorane Plus (CAS 13560-89-9) is a chemical compound with molecular formula C18H12Cl12 and molecular weight 647.72 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,6,7,8,9,14,15,16,17,17,18,18-dodecachloropentacyclo[12.2.1.16,9.02,13.05,10]octadeca-7,15-diene
Also Known As: Dechlorane plus, Dechlorane A, Dechloran A, Dechlorane 605, Dechlorane Plus 25
| Molecular Formula | C18H12Cl12 |
|---|---|
| Molecular Weight | 647.72 g/mol |
| LogP | 8.0 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 653.7113 |
| Heavy Atoms | 30 |
| Complexity | 782.0 |
| Melting Point | >325 °C |
| Density | 1.8 g/cu cm |
| Solubility | In water, 4.4X10-8 mg/L |
| Vapor Pressure | Vapor pressure = 6X10-3 mm Hg at 200 °C |
Chemical Identifiers
| CAS Number | 13560-89-9 |
|---|---|
| SMILES | C1CC2C(CCC3C1C4(C(=C(C3(C4(Cl)Cl)Cl)Cl)Cl)Cl)C5(C(=C(C2(C5(Cl)Cl)Cl)Cl)Cl)Cl |
| InChIKey | UGQQAJOWXNCOPY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dechlorane Plus (CAS 13560-89-9), with molecular formula C18H12Cl12 and molecular weight 647.72 g/mol. IUPAC: 1,6,7,8,9,14,15,16,17,17,18,18-dodecachloropentacyclo[12.2.1.16,9.02,13.05,10]octadeca-7,15-diene.
Chemical Property Profile of Dechlorane Plus
Property Insights of Dechlorane Plus
The XLogP value of 8.0 indicates that Dechlorane Plus is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Dechlorane Plus exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dechlorane Plus has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dechlorane Plus?
The CAS number of Dechlorane Plus is 13560-89-9.
What is the molecular formula of Dechlorane Plus?
The molecular formula of Dechlorane Plus is C18H12Cl12.
What is the molecular weight of Dechlorane Plus?
The molecular weight of Dechlorane Plus is 647.72 g/mol.
Where can I buy Dechlorane Plus?
You can request a quote for Dechlorane Plus directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dechlorane Plus?
Yes, KEHONG BIO provides custom synthesis services for Dechlorane Plus and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.