1,2,3,4,9,9-Hexachloro-1,4-dihydro-1,4-methanonaphthalene-5,8-diyl diacetate
TL;DR: 1,2,3,4,9,9-Hexachloro-1,4-dihydro-1,4-methanonaphthalene-5,8-diyl diacetate (CAS 38658-82-1) is a chemical compound with molecular formula C15H8Cl6O4 and molecular weight 461.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-acetyloxy-1,8,9,10,11,11-hexachloro-3-tricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraenyl) acetate
Also Known As: 1,2,3,4,9,9-Hexachloro-1,4-dihydro-1,4-methanonaphthalene-5,8-diyl diacetate, 6-(ACETYLOXY)-1,8,9,10,11,11-HEXACHLOROTRICYCLO[6.2.1.0(2,7)]UNDECA-2,4,6,9-TETRAEN-3-YL ACETATE, (6-acetyloxy-1,8,9,10,11,11-hexachloro-3-tricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraenyl) acetate, 1,8,9,10,11,11-HEXACHLOROTRICYCLO[6.2.1.0~2,7~]UNDECA-2,4,6,9-TETRAENE-3,6-DIYL DIACETATE, 6-(acetyloxy)-1,8,9,10,11,11-hexachlorotricyclo[6.2.1.0~2,7~]undeca-2,4,6,9-tetraen-3-yl acetate
| Molecular Formula | C15H8Cl6O4 |
|---|---|
| Molecular Weight | 461.86 g/mol |
| LogP | 5.2957 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 461.85538 |
| Heavy Atoms | 25 |
| Complexity | 796.8227 |
Chemical Identifiers
| CAS Number | 38658-82-1 |
|---|---|
| SMILES | CC(=O)OC1=C2C(=C(C=C1)OC(=O)C)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl |
Product Overview
1,2,3,4,9,9-Hexachloro-1,4-dihydro-1,4-methanonaphthalene-5,8-diyl diacetate (CAS 38658-82-1), with molecular formula C15H8Cl6O4 and molecular weight 461.86 g/mol. IUPAC: (6-acetyloxy-1,8,9,10,11,11-hexachloro-3-tricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraenyl) acetate.
Chemical Property Profile of 1,2,3,4,9,9-Hexachloro-1,4-dihydro-1,4-methanonaphthalene-5,8-diyl diacetate
Property Insights of 1,2,3,4,9,9-Hexachloro-1,4-dihydro-1,4-methanonaphthalene-5,8-diyl diacetate
The XLogP value of 5.2957 indicates that 1,2,3,4,9,9-Hexachloro-1,4-dihydro-1,4-methanonaphthalene-5,8-diyl diacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 1,2,3,4,9,9-Hexachloro-1,4-dihydro-1,4-methanonaphthalene-5,8-diyl diacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,3,4,9,9-Hexachloro-1,4-dihydro-1,4-methanonaphthalene-5,8-diyl diacetate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,2,3,4,9,9-Hexachloro-1,4-dihydro-1,4-methanonaphthalene-5,8-diyl diacetate?
The CAS number of 1,2,3,4,9,9-Hexachloro-1,4-dihydro-1,4-methanonaphthalene-5,8-diyl diacetate is 38658-82-1.
What is the molecular formula of 1,2,3,4,9,9-Hexachloro-1,4-dihydro-1,4-methanonaphthalene-5,8-diyl diacetate?
The molecular formula of 1,2,3,4,9,9-Hexachloro-1,4-dihydro-1,4-methanonaphthalene-5,8-diyl diacetate is C15H8Cl6O4.
What is the molecular weight of 1,2,3,4,9,9-Hexachloro-1,4-dihydro-1,4-methanonaphthalene-5,8-diyl diacetate?
The molecular weight of 1,2,3,4,9,9-Hexachloro-1,4-dihydro-1,4-methanonaphthalene-5,8-diyl diacetate is 461.86 g/mol.
Where can I buy 1,2,3,4,9,9-Hexachloro-1,4-dihydro-1,4-methanonaphthalene-5,8-diyl diacetate?
You can request a quote for 1,2,3,4,9,9-Hexachloro-1,4-dihydro-1,4-methanonaphthalene-5,8-diyl diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3,4,9,9-Hexachloro-1,4-dihydro-1,4-methanonaphthalene-5,8-diyl diacetate?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3,4,9,9-Hexachloro-1,4-dihydro-1,4-methanonaphthalene-5,8-diyl diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.