Hydrochlordecone
TL;DR: Hydrochlordecone (CAS 53308-47-7) is a chemical compound with molecular formula C10HCl9O and molecular weight 451.72 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3,4,6,7,9,10,10-nonachloropentacyclo[5.3.0.02,6.03,9.04,8]decan-5-one
Also Known As: Hydrochlordecone, C10HCl9O, 1,2,3,4,6,7,9,10,10-nonachloropentacyclo[5.3.0.02,6.03,9.04,8]decan-5-one, 1,3,4-Metheno-2H-cyclobuta[cd]pentalen-2-one, 1,1a,3,3a,4,5,5,5a,5b-nonachlorooctahydro-, 1,3,4-Metheno-2H-cyclobuta(cd)pentalen-2-one, 1,1a,3,3a,4,5,5,5a,5b-nonachlorooctahydro-
| Molecular Formula | C10HCl9O |
|---|---|
| Molecular Weight | 451.72 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 451.7224 |
| Heavy Atoms | 20 |
| Complexity | 682.0 |
Chemical Identifiers
| CAS Number | 53308-47-7 |
|---|---|
| SMILES | C12C3(C(=O)C4(C1(C5(C4(C3(C2(C5(Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl |
| InChIKey | JJRPRWNOWWPIIT-UHFFFAOYSA-N |
Product Overview
Hydrochlordecone (CAS 53308-47-7), with molecular formula C10HCl9O and molecular weight 451.72 g/mol. IUPAC: 1,2,3,4,6,7,9,10,10-nonachloropentacyclo[5.3.0.02,6.03,9.04,8]decan-5-one.
Chemical Property Profile of Hydrochlordecone
Property Insights of Hydrochlordecone
The XLogP value of 3.7 indicates that Hydrochlordecone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, Hydrochlordecone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hydrochlordecone has 0 hydrogen bond donor(s) and 1 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 Hydrochlordecone?
The CAS number of Hydrochlordecone is 53308-47-7.
What is the molecular formula of Hydrochlordecone?
The molecular formula of Hydrochlordecone is C10HCl9O.
What is the molecular weight of Hydrochlordecone?
The molecular weight of Hydrochlordecone is 451.72 g/mol.
Where can I buy Hydrochlordecone?
You can request a quote for Hydrochlordecone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hydrochlordecone?
Yes, KEHONG BIO provides custom synthesis services for Hydrochlordecone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.