![1,4,5,6,7,7-Hexachlorobicyclo[2.2.1]hept-5-en-2-yl acetate structure](/static/products/2453/2453-31-8.webp)
1,4,5,6,7,7-Hexachlorobicyclo[2.2.1]hept-5-en-2-yl acetate
TL;DR: 1,4,5,6,7,7-Hexachlorobicyclo[2.2.1]hept-5-en-2-yl acetate (CAS 2453-31-8) is a chemical compound with molecular formula C9H6Cl6O2 and molecular weight 355.85 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) acetate
Also Known As: KST-1B2148, 1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-en-2-yl acetate, (1,2,3,4,7,7-hexachloro-5-bicyclo[2.2.1]hept-2-enyl) acetate, Bicyclo[2.2.1]hept-5-en-2-ol,1,4,5,6,7,7-hexachloro-, 2-acetate, (1R,2R,4S)-rel-
| Molecular Formula | C9H6Cl6O2 |
|---|---|
| Molecular Weight | 355.85 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 355.84988 |
| Heavy Atoms | 17 |
| Complexity | 433.0 |
Chemical Identifiers
| CAS Number | 2453-31-8 |
|---|---|
| SMILES | CC(=O)OC1CC2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl |
| InChIKey | CIRUKACHYPJCFT-UHFFFAOYSA-N |
Product Overview
1,4,5,6,7,7-Hexachlorobicyclo[2.2.1]hept-5-en-2-yl acetate (CAS 2453-31-8), with molecular formula C9H6Cl6O2 and molecular weight 355.85 g/mol. IUPAC: (1,4,5,6,7,7-hexachloro-2-bicyclo[2.2.1]hept-5-enyl) acetate.
Chemical Property Profile of 1,4,5,6,7,7-Hexachlorobicyclo[2.2.1]hept-5-en-2-yl acetate
Property Insights of 1,4,5,6,7,7-Hexachlorobicyclo[2.2.1]hept-5-en-2-yl acetate
The XLogP value of 3.3 indicates that 1,4,5,6,7,7-Hexachlorobicyclo[2.2.1]hept-5-en-2-yl 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 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 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 acetate?
The CAS number of 1,4,5,6,7,7-Hexachlorobicyclo[2.2.1]hept-5-en-2-yl acetate is 2453-31-8.
What is the molecular formula of 1,4,5,6,7,7-Hexachlorobicyclo[2.2.1]hept-5-en-2-yl acetate?
The molecular formula of 1,4,5,6,7,7-Hexachlorobicyclo[2.2.1]hept-5-en-2-yl acetate is C9H6Cl6O2.
What is the molecular weight of 1,4,5,6,7,7-Hexachlorobicyclo[2.2.1]hept-5-en-2-yl acetate?
The molecular weight of 1,4,5,6,7,7-Hexachlorobicyclo[2.2.1]hept-5-en-2-yl acetate is 355.85 g/mol.
Where can I buy 1,4,5,6,7,7-Hexachlorobicyclo[2.2.1]hept-5-en-2-yl acetate?
You can request a quote for 1,4,5,6,7,7-Hexachlorobicyclo[2.2.1]hept-5-en-2-yl 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 acetate?
Yes, KEHONG BIO provides custom synthesis services for 1,4,5,6,7,7-Hexachlorobicyclo[2.2.1]hept-5-en-2-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.