Dexlofexidine
TL;DR: Dexlofexidine (CAS 53207-72-0) is a chemical compound with molecular formula C10H2Cl10 and molecular weight 471.70 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3,4,5,6,7,8,9,10-decachloropentacyclo[5.3.0.02,6.03,9.04,8]decane
Also Known As: Dexlofexidine, 5,10-Dihydromirex, 1,3,4-Metheno-1H-cyclobuta(cd)pentalene, 1,1a,2,3,3a,4,5,5a,5b,6-decachlorooctahydro-, cis-, 1,1a,2,3,3a,4,5,5a,5b,6-Decachlorooctahydro-1H-1,3,4-(methanetriyl)cyclobuta[cd]pentalene
| Molecular Formula | C10H2Cl10 |
|---|---|
| Molecular Weight | 471.70 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 471.70416 |
| Heavy Atoms | 20 |
| Complexity | 496.0 |
Chemical Identifiers
| CAS Number | 53207-72-0 |
|---|---|
| SMILES | C1(C2(C3(C4(C2(C5(C1(C3(C5(C4Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl |
| InChIKey | QWXGWFQHUSQUCK-UHFFFAOYSA-N |
Product Overview
Dexlofexidine (CAS 53207-72-0), with molecular formula C10H2Cl10 and molecular weight 471.70 g/mol. IUPAC: 1,2,3,4,5,6,7,8,9,10-decachloropentacyclo[5.3.0.02,6.03,9.04,8]decane.
Chemical Property Profile of Dexlofexidine
Property Insights of Dexlofexidine
The XLogP value of 4.2 indicates that Dexlofexidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Dexlofexidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dexlofexidine has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dexlofexidine?
The CAS number of Dexlofexidine is 53207-72-0.
What is the molecular formula of Dexlofexidine?
The molecular formula of Dexlofexidine is C10H2Cl10.
What is the molecular weight of Dexlofexidine?
The molecular weight of Dexlofexidine is 471.70 g/mol.
Where can I buy Dexlofexidine?
You can request a quote for Dexlofexidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dexlofexidine?
Yes, KEHONG BIO provides custom synthesis services for Dexlofexidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.