5,6,7,8,9,9-Hexachloro-1,2,3,4,4A,5,88A-octahydro14:58dimethanonaphth2YL acetate
TL;DR: 5,6,7,8,9,9-Hexachloro-1,2,3,4,4A,5,88A-octahydro14:58dimethanonaphth2YL acetate (CAS 92218-68-3) is a chemical compound with molecular formula C14H12Cl6O2 and molecular weight 421.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,8,9,10,11,11-hexachloro-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl) acetate
Also Known As: 5,6,7,8,9,9-hexachloro-1,2,3,4,4a,5,8,8a-octahydro-1,4:5,8-dimethanonaphthalen-2-yl acetate, 5,6,7,8,9,9-HEXACHLORO-1,2,3,4,4A,5,88A-OCTAHYDRO14:58DIMETHANONAPHTH2YL ACETATE, 660-485-5, RefChem:527841
| Molecular Formula | C14H12Cl6O2 |
|---|---|
| Molecular Weight | 421.90 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 421.89685 |
| Heavy Atoms | 22 |
| Complexity | 618.0 |
Chemical Identifiers
| CAS Number | 92218-68-3 |
|---|---|
| SMILES | CC(=O)OC1CC2CC1C3C2C4(C(=C(C3(C4(Cl)Cl)Cl)Cl)Cl)Cl |
| InChIKey | DOSRQPWOVOSXQH-UHFFFAOYSA-N |
Product Overview
5,6,7,8,9,9-Hexachloro-1,2,3,4,4A,5,88A-octahydro14:58dimethanonaphth2YL acetate (CAS 92218-68-3), with molecular formula C14H12Cl6O2 and molecular weight 421.90 g/mol. IUPAC: (1,8,9,10,11,11-hexachloro-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl) acetate.
Chemical Property Profile of 5,6,7,8,9,9-Hexachloro-1,2,3,4,4A,5,88A-octahydro14:58dimethanonaphth2YL acetate
Property Insights of 5,6,7,8,9,9-Hexachloro-1,2,3,4,4A,5,88A-octahydro14:58dimethanonaphth2YL acetate
The XLogP value of 4.2 indicates that 5,6,7,8,9,9-Hexachloro-1,2,3,4,4A,5,88A-octahydro14:58dimethanonaphth2YL acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 5,6,7,8,9,9-Hexachloro-1,2,3,4,4A,5,88A-octahydro14:58dimethanonaphth2YL acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,6,7,8,9,9-Hexachloro-1,2,3,4,4A,5,88A-octahydro14:58dimethanonaphth2YL acetate has 0 hydrogen bond donor(s) and 2 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 5,6,7,8,9,9-Hexachloro-1,2,3,4,4A,5,88A-octahydro14:58dimethanonaphth2YL acetate?
The CAS number of 5,6,7,8,9,9-Hexachloro-1,2,3,4,4A,5,88A-octahydro14:58dimethanonaphth2YL acetate is 92218-68-3.
What is the molecular formula of 5,6,7,8,9,9-Hexachloro-1,2,3,4,4A,5,88A-octahydro14:58dimethanonaphth2YL acetate?
The molecular formula of 5,6,7,8,9,9-Hexachloro-1,2,3,4,4A,5,88A-octahydro14:58dimethanonaphth2YL acetate is C14H12Cl6O2.
What is the molecular weight of 5,6,7,8,9,9-Hexachloro-1,2,3,4,4A,5,88A-octahydro14:58dimethanonaphth2YL acetate?
The molecular weight of 5,6,7,8,9,9-Hexachloro-1,2,3,4,4A,5,88A-octahydro14:58dimethanonaphth2YL acetate is 421.90 g/mol.
Where can I buy 5,6,7,8,9,9-Hexachloro-1,2,3,4,4A,5,88A-octahydro14:58dimethanonaphth2YL acetate?
You can request a quote for 5,6,7,8,9,9-Hexachloro-1,2,3,4,4A,5,88A-octahydro14:58dimethanonaphth2YL acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,6,7,8,9,9-Hexachloro-1,2,3,4,4A,5,88A-octahydro14:58dimethanonaphth2YL acetate?
Yes, KEHONG BIO provides custom synthesis services for 5,6,7,8,9,9-Hexachloro-1,2,3,4,4A,5,88A-octahydro14:58dimethanonaphth2YL acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.