![1,4,5,6,7,7-Hexachlorobicyclo[2.2.1]hept-5-en-2-one structure](/static/products/896/89642-41-1.png)
1,4,5,6,7,7-Hexachlorobicyclo[2.2.1]hept-5-en-2-one
TL;DR: 1,4,5,6,7,7-Hexachlorobicyclo[2.2.1]hept-5-en-2-one (CAS 89642-41-1) is a chemical compound with molecular formula C7H2Cl6O and molecular weight 311.82 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-en-2-one
Also Known As: 1,2,3,4,7,7-hexachlorobicyclo[2.2.1]hept-2-en-5-one, 1,4,5,6,7,7-Hexachlorobicyclo[2.2.1]hept-5-en-2-one, Bicyclo[2.2.1]hept-5-en-2-one,1,4,5,6,7,7-hexachloro-, 1,4,5,6,7,7-Hexachlorbicyclo<2.2.1>hept-5-en-2-on
| Molecular Formula | C7H2Cl6O |
|---|---|
| Molecular Weight | 311.82 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 311.82367 |
| Heavy Atoms | 14 |
| Complexity | 374.0 |
Chemical Identifiers
| CAS Number | 89642-41-1 |
|---|---|
| SMILES | C1C(=O)C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl |
| InChIKey | XDKRIDXESLVVIW-UHFFFAOYSA-N |
Product Overview
1,4,5,6,7,7-Hexachlorobicyclo[2.2.1]hept-5-en-2-one (CAS 89642-41-1), with molecular formula C7H2Cl6O and molecular weight 311.82 g/mol. IUPAC: 1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-en-2-one.
Chemical Property Profile of 1,4,5,6,7,7-Hexachlorobicyclo[2.2.1]hept-5-en-2-one
Property Insights of 1,4,5,6,7,7-Hexachlorobicyclo[2.2.1]hept-5-en-2-one
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4,5,6,7,7-Hexachlorobicyclo[2.2.1]hept-5-en-2-one. With a topological polar surface area (TPSA) of 17.1 Ų, 1,4,5,6,7,7-Hexachlorobicyclo[2.2.1]hept-5-en-2-one 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-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 1,4,5,6,7,7-Hexachlorobicyclo[2.2.1]hept-5-en-2-one?
The CAS number of 1,4,5,6,7,7-Hexachlorobicyclo[2.2.1]hept-5-en-2-one is 89642-41-1.
What is the molecular formula of 1,4,5,6,7,7-Hexachlorobicyclo[2.2.1]hept-5-en-2-one?
The molecular formula of 1,4,5,6,7,7-Hexachlorobicyclo[2.2.1]hept-5-en-2-one is C7H2Cl6O.
What is the molecular weight of 1,4,5,6,7,7-Hexachlorobicyclo[2.2.1]hept-5-en-2-one?
The molecular weight of 1,4,5,6,7,7-Hexachlorobicyclo[2.2.1]hept-5-en-2-one is 311.82 g/mol.
Where can I buy 1,4,5,6,7,7-Hexachlorobicyclo[2.2.1]hept-5-en-2-one?
You can request a quote for 1,4,5,6,7,7-Hexachlorobicyclo[2.2.1]hept-5-en-2-one 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-one?
Yes, KEHONG BIO provides custom synthesis services for 1,4,5,6,7,7-Hexachlorobicyclo[2.2.1]hept-5-en-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.