![(1S,2R,4R,6S,8S,9R)-1,9,10,11,12,12-hexachloro-4-methyl-5-oxatetracyclo[7.2.1.02,8.04,6]dodec-10-ene structure](/static/products/7818/78185-58-7.webp)
(1S,2R,4R,6S,8S,9R)-1,9,10,11,12,12-hexachloro-4-methyl-5-oxatetracyclo[7.2.1.02,8.04,6]dodec-10-ene
TL;DR: (1S,2R,4R,6S,8S,9R)-1,9,10,11,12,12-hexachloro-4-methyl-5-oxatetracyclo[7.2.1.02,8.04,6]dodec-10-ene (CAS 78185-58-7) is a chemical compound with molecular formula C12H10Cl6O and molecular weight 379.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2R,4R,6S,8S,9R)-1,9,10,11,12,12-hexachloro-4-methyl-5-oxatetracyclo[7.2.1.02,8.04,6]dodec-10-ene
Also Known As: 1,2,3,4,9,9-Hexachloro-1,4,4a,5,8,8a-hexahydro-6-methyl-6,7-epoxy-1,4-methanonaphthalene, MME, (1S,2R,4R,6S,8S,9R)-1,9,10,11,12,12-Hexachloro-4-methyl-5-oxatetracyclo[7.2.1.02,8.04,6]dodec-10-ene, (1aR,2aR,3S,6R,6aS,7aS)-3,4,5,6,8,8-hexachloro-1a-methyl-1a,2,2a,3,6,6a,7,7a-octahydro-3,6-methanonaphtho[2,3-b]oxirene, 3,6-Methanonaphth(2,3-b)oxirene, 3,4,5,6,8,8-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-1a-methyl-, (1aalpha,2abeta,3alpha,6alpha,6abeta,7aalpha)-
| Molecular Formula | C12H10Cl6O |
|---|---|
| Molecular Weight | 379.89 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 379.8863 |
| Heavy Atoms | 19 |
| Complexity | 532.0 |
Chemical Identifiers
| CAS Number | 78185-58-7 |
|---|---|
| SMILES | C[C@@]12C[C@@H]3[C@H](C[C@@H]1O2)[C@]4(C(=C([C@@]3(C4(Cl)Cl)Cl)Cl)Cl)Cl |
| InChIKey | VGSWVGWUNVYTMO-ZFZPAQFFSA-N |
Product Overview
(1S,2R,4R,6S,8S,9R)-1,9,10,11,12,12-hexachloro-4-methyl-5-oxatetracyclo[7.2.1.02,8.04,6]dodec-10-ene (CAS 78185-58-7), with molecular formula C12H10Cl6O and molecular weight 379.89 g/mol. IUPAC: (1S,2R,4R,6S,8S,9R)-1,9,10,11,12,12-hexachloro-4-methyl-5-oxatetracyclo[7.2.1.02,8.04,6]dodec-10-ene.
Chemical Property Profile of (1S,2R,4R,6S,8S,9R)-1,9,10,11,12,12-hexachloro-4-methyl-5-oxatetracyclo[7.2.1.02,8.04,6]dodec-10-ene
Property Insights of (1S,2R,4R,6S,8S,9R)-1,9,10,11,12,12-hexachloro-4-methyl-5-oxatetracyclo[7.2.1.02,8.04,6]dodec-10-ene
The XLogP value of 3.9 indicates that (1S,2R,4R,6S,8S,9R)-1,9,10,11,12,12-hexachloro-4-methyl-5-oxatetracyclo[7.2.1.02,8.04,6]dodec-10-ene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.5 Ų, (1S,2R,4R,6S,8S,9R)-1,9,10,11,12,12-hexachloro-4-methyl-5-oxatetracyclo[7.2.1.02,8.04,6]dodec-10-ene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1S,2R,4R,6S,8S,9R)-1,9,10,11,12,12-hexachloro-4-methyl-5-oxatetracyclo[7.2.1.02,8.04,6]dodec-10-ene 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 (1S,2R,4R,6S,8S,9R)-1,9,10,11,12,12-hexachloro-4-methyl-5-oxatetracyclo[7.2.1.02,8.04,6]dodec-10-ene?
The CAS number of (1S,2R,4R,6S,8S,9R)-1,9,10,11,12,12-hexachloro-4-methyl-5-oxatetracyclo[7.2.1.02,8.04,6]dodec-10-ene is 78185-58-7.
What is the molecular formula of (1S,2R,4R,6S,8S,9R)-1,9,10,11,12,12-hexachloro-4-methyl-5-oxatetracyclo[7.2.1.02,8.04,6]dodec-10-ene?
The molecular formula of (1S,2R,4R,6S,8S,9R)-1,9,10,11,12,12-hexachloro-4-methyl-5-oxatetracyclo[7.2.1.02,8.04,6]dodec-10-ene is C12H10Cl6O.
What is the molecular weight of (1S,2R,4R,6S,8S,9R)-1,9,10,11,12,12-hexachloro-4-methyl-5-oxatetracyclo[7.2.1.02,8.04,6]dodec-10-ene?
The molecular weight of (1S,2R,4R,6S,8S,9R)-1,9,10,11,12,12-hexachloro-4-methyl-5-oxatetracyclo[7.2.1.02,8.04,6]dodec-10-ene is 379.89 g/mol.
Where can I buy (1S,2R,4R,6S,8S,9R)-1,9,10,11,12,12-hexachloro-4-methyl-5-oxatetracyclo[7.2.1.02,8.04,6]dodec-10-ene?
You can request a quote for (1S,2R,4R,6S,8S,9R)-1,9,10,11,12,12-hexachloro-4-methyl-5-oxatetracyclo[7.2.1.02,8.04,6]dodec-10-ene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1S,2R,4R,6S,8S,9R)-1,9,10,11,12,12-hexachloro-4-methyl-5-oxatetracyclo[7.2.1.02,8.04,6]dodec-10-ene?
Yes, KEHONG BIO provides custom synthesis services for (1S,2R,4R,6S,8S,9R)-1,9,10,11,12,12-hexachloro-4-methyl-5-oxatetracyclo[7.2.1.02,8.04,6]dodec-10-ene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.