![(1,4,5,6,7,7-Hexachlorobicyclo[2.2.1]hept-5-en-2-yl)methyl acetate structure](/static/products/1085/1085-62-7.webp)
(1,4,5,6,7,7-Hexachlorobicyclo[2.2.1]hept-5-en-2-yl)methyl acetate
TL;DR: (1,4,5,6,7,7-Hexachlorobicyclo[2.2.1]hept-5-en-2-yl)methyl acetate (CAS 1085-62-7) is a chemical compound with molecular formula C10H8Cl6O2 and molecular weight 369.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,4,5,6,7,7-hexachloro-2-bicyclo[2.2.1]hept-5-enyl)methyl acetate
Also Known As: KST-1A0798, 2-Phenoxyaethylamino-aethanthioschwefelsaeure, (1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-en-2-yl)methyl acetate, (1,2,3,4,7,7-hexachloro-5-bicyclo[2.2.1]hept-2-enyl)methyl acetate, (1,2,3,4,7,7-hexachloro-5-bicyclo[2.2.1]hept-2-enyl)methyl a
| Molecular Formula | C10H8Cl6O2 |
|---|---|
| Molecular Weight | 369.87 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 369.86554 |
| Heavy Atoms | 18 |
| Complexity | 448.0 |
Chemical Identifiers
| CAS Number | 1085-62-7 |
|---|---|
| SMILES | CC(=O)OCC1CC2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl |
| InChIKey | NDRFJTDXRVUIET-UHFFFAOYSA-N |
Product Overview
(1,4,5,6,7,7-Hexachlorobicyclo[2.2.1]hept-5-en-2-yl)methyl acetate (CAS 1085-62-7), with molecular formula C10H8Cl6O2 and molecular weight 369.87 g/mol. IUPAC: (1,4,5,6,7,7-hexachloro-2-bicyclo[2.2.1]hept-5-enyl)methyl acetate.
Chemical Property Profile of (1,4,5,6,7,7-Hexachlorobicyclo[2.2.1]hept-5-en-2-yl)methyl acetate
Property Insights of (1,4,5,6,7,7-Hexachlorobicyclo[2.2.1]hept-5-en-2-yl)methyl acetate
The XLogP value of 3.5 indicates that (1,4,5,6,7,7-Hexachlorobicyclo[2.2.1]hept-5-en-2-yl)methyl 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, (1,4,5,6,7,7-Hexachlorobicyclo[2.2.1]hept-5-en-2-yl)methyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1,4,5,6,7,7-Hexachlorobicyclo[2.2.1]hept-5-en-2-yl)methyl 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 (1,4,5,6,7,7-Hexachlorobicyclo[2.2.1]hept-5-en-2-yl)methyl acetate?
The CAS number of (1,4,5,6,7,7-Hexachlorobicyclo[2.2.1]hept-5-en-2-yl)methyl acetate is 1085-62-7.
What is the molecular formula of (1,4,5,6,7,7-Hexachlorobicyclo[2.2.1]hept-5-en-2-yl)methyl acetate?
The molecular formula of (1,4,5,6,7,7-Hexachlorobicyclo[2.2.1]hept-5-en-2-yl)methyl acetate is C10H8Cl6O2.
What is the molecular weight of (1,4,5,6,7,7-Hexachlorobicyclo[2.2.1]hept-5-en-2-yl)methyl acetate?
The molecular weight of (1,4,5,6,7,7-Hexachlorobicyclo[2.2.1]hept-5-en-2-yl)methyl acetate is 369.87 g/mol.
Where can I buy (1,4,5,6,7,7-Hexachlorobicyclo[2.2.1]hept-5-en-2-yl)methyl acetate?
You can request a quote for (1,4,5,6,7,7-Hexachlorobicyclo[2.2.1]hept-5-en-2-yl)methyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1,4,5,6,7,7-Hexachlorobicyclo[2.2.1]hept-5-en-2-yl)methyl acetate?
Yes, KEHONG BIO provides custom synthesis services for (1,4,5,6,7,7-Hexachlorobicyclo[2.2.1]hept-5-en-2-yl)methyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.