5,6,7,8,9,9-hexachloro-3,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanonaphthalen-2(1h)-one
TL;DR: 5,6,7,8,9,9-hexachloro-3,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanonaphthalen-2(1h)-one (CAS 34238-77-2) is a chemical compound with molecular formula C12H8Cl6O and molecular weight 377.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,8,9,10,11,11-hexachlorotetracyclo[6.2.1.13,6.02,7]dodec-9-en-4-one
Also Known As: 5,6,7,8,9,9-hexachloro-3,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanonaphthalen-2(1h)-one
| Molecular Formula | C12H8Cl6O |
|---|---|
| Molecular Weight | 377.87 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 377.87064 |
| Heavy Atoms | 19 |
| Complexity | 556.0 |
Chemical Identifiers
| CAS Number | 34238-77-2 |
|---|---|
| SMILES | C1C2CC(=O)C1C3C2C4(C(=C(C3(C4(Cl)Cl)Cl)Cl)Cl)Cl |
| InChIKey | WGDFXKOCGPJSKU-UHFFFAOYSA-N |
Product Overview
5,6,7,8,9,9-hexachloro-3,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanonaphthalen-2(1h)-one (CAS 34238-77-2), with molecular formula C12H8Cl6O and molecular weight 377.87 g/mol. IUPAC: 1,8,9,10,11,11-hexachlorotetracyclo[6.2.1.13,6.02,7]dodec-9-en-4-one.
Chemical Property Profile of 5,6,7,8,9,9-hexachloro-3,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanonaphthalen-2(1h)-one
Property Insights of 5,6,7,8,9,9-hexachloro-3,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanonaphthalen-2(1h)-one
The XLogP value of 3.4 indicates that 5,6,7,8,9,9-hexachloro-3,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanonaphthalen-2(1h)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 5,6,7,8,9,9-hexachloro-3,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanonaphthalen-2(1h)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,6,7,8,9,9-hexachloro-3,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanonaphthalen-2(1h)-one 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 5,6,7,8,9,9-hexachloro-3,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanonaphthalen-2(1h)-one?
The CAS number of 5,6,7,8,9,9-hexachloro-3,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanonaphthalen-2(1h)-one is 34238-77-2.
What is the molecular formula of 5,6,7,8,9,9-hexachloro-3,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanonaphthalen-2(1h)-one?
The molecular formula of 5,6,7,8,9,9-hexachloro-3,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanonaphthalen-2(1h)-one is C12H8Cl6O.
What is the molecular weight of 5,6,7,8,9,9-hexachloro-3,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanonaphthalen-2(1h)-one?
The molecular weight of 5,6,7,8,9,9-hexachloro-3,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanonaphthalen-2(1h)-one is 377.87 g/mol.
Where can I buy 5,6,7,8,9,9-hexachloro-3,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanonaphthalen-2(1h)-one?
You can request a quote for 5,6,7,8,9,9-hexachloro-3,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanonaphthalen-2(1h)-one 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-3,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanonaphthalen-2(1h)-one?
Yes, KEHONG BIO provides custom synthesis services for 5,6,7,8,9,9-hexachloro-3,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanonaphthalen-2(1h)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.