![1-(1,4,5,6-Tetrachloro-7,7-dimethoxy-2-bicyclo[2.2.1]hept-5-enyl)ethanone structure](/static/products/5994/59945-44-7.webp)
1-(1,4,5,6-Tetrachloro-7,7-dimethoxy-2-bicyclo[2.2.1]hept-5-enyl)ethanone
TL;DR: 1-(1,4,5,6-Tetrachloro-7,7-dimethoxy-2-bicyclo[2.2.1]hept-5-enyl)ethanone (CAS 59945-44-7) is a chemical compound with molecular formula C11H12Cl4O3 and molecular weight 331.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,4,5,6-tetrachloro-7,7-dimethoxy-2-bicyclo[2.2.1]hept-5-enyl)ethanone
Also Known As: KST-1B6068, 1-(1,4,5,6-tetrachloro-7,7-dimethoxybicyclo[2.2.1]hept-5-en-2-yl)ethanone, 1-(1,2,3,4-tetrachloro-7,7-dimethoxy-5-bicyclo[2.2.1]hept-2-enyl)ethanone, 1-(1,4,5,6-Tetrachloro-7,7-dimethoxy-2-bicyclo[2.2.1]hept-5-enyl)ethanone, 1-(1,4,5,6-Tetrachloro-7,7-dimethoxybicyclo[2.2.1]hept-5-en-2-yl)ethan-1-one
| Molecular Formula | C11H12Cl4O3 |
|---|---|
| Molecular Weight | 331.95 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 331.95404 |
| Heavy Atoms | 18 |
| Complexity | 446.0 |
Chemical Identifiers
| CAS Number | 59945-44-7 |
|---|---|
| SMILES | CC(=O)C1CC2(C(=C(C1(C2(OC)OC)Cl)Cl)Cl)Cl |
| InChIKey | AIGYZGZAFVGECS-UHFFFAOYSA-N |
Product Overview
1-(1,4,5,6-Tetrachloro-7,7-dimethoxy-2-bicyclo[2.2.1]hept-5-enyl)ethanone (CAS 59945-44-7), with molecular formula C11H12Cl4O3 and molecular weight 331.95 g/mol. IUPAC: 1-(1,4,5,6-tetrachloro-7,7-dimethoxy-2-bicyclo[2.2.1]hept-5-enyl)ethanone.
Chemical Property Profile of 1-(1,4,5,6-Tetrachloro-7,7-dimethoxy-2-bicyclo[2.2.1]hept-5-enyl)ethanone
Property Insights of 1-(1,4,5,6-Tetrachloro-7,7-dimethoxy-2-bicyclo[2.2.1]hept-5-enyl)ethanone
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1,4,5,6-Tetrachloro-7,7-dimethoxy-2-bicyclo[2.2.1]hept-5-enyl)ethanone. With a topological polar surface area (TPSA) of 35.5 Ų, 1-(1,4,5,6-Tetrachloro-7,7-dimethoxy-2-bicyclo[2.2.1]hept-5-enyl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1,4,5,6-Tetrachloro-7,7-dimethoxy-2-bicyclo[2.2.1]hept-5-enyl)ethanone has 0 hydrogen bond donor(s) and 3 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-(1,4,5,6-Tetrachloro-7,7-dimethoxy-2-bicyclo[2.2.1]hept-5-enyl)ethanone?
The CAS number of 1-(1,4,5,6-Tetrachloro-7,7-dimethoxy-2-bicyclo[2.2.1]hept-5-enyl)ethanone is 59945-44-7.
What is the molecular formula of 1-(1,4,5,6-Tetrachloro-7,7-dimethoxy-2-bicyclo[2.2.1]hept-5-enyl)ethanone?
The molecular formula of 1-(1,4,5,6-Tetrachloro-7,7-dimethoxy-2-bicyclo[2.2.1]hept-5-enyl)ethanone is C11H12Cl4O3.
What is the molecular weight of 1-(1,4,5,6-Tetrachloro-7,7-dimethoxy-2-bicyclo[2.2.1]hept-5-enyl)ethanone?
The molecular weight of 1-(1,4,5,6-Tetrachloro-7,7-dimethoxy-2-bicyclo[2.2.1]hept-5-enyl)ethanone is 331.95 g/mol.
Where can I buy 1-(1,4,5,6-Tetrachloro-7,7-dimethoxy-2-bicyclo[2.2.1]hept-5-enyl)ethanone?
You can request a quote for 1-(1,4,5,6-Tetrachloro-7,7-dimethoxy-2-bicyclo[2.2.1]hept-5-enyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,4,5,6-Tetrachloro-7,7-dimethoxy-2-bicyclo[2.2.1]hept-5-enyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,4,5,6-Tetrachloro-7,7-dimethoxy-2-bicyclo[2.2.1]hept-5-enyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.