![3-((allyloxy)carbonyl)-1,4,5,6,7,7-hexachlorobicyclo[2.2.1]h structure](/static/products/968/968-36-5.png)
3-((allyloxy)carbonyl)-1,4,5,6,7,7-hexachlorobicyclo[2.2.1]h
TL;DR: 3-((allyloxy)carbonyl)-1,4,5,6,7,7-hexachlorobicyclo[2.2.1]h (CAS 968-36-5) is a chemical compound with molecular formula C12H8Cl6O4 and molecular weight 425.86 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-3-prop-2-enoxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Also Known As: 3-((allyloxy)carbonyl)-1,4,5,6,7,7-hexachlorobicyclo[2.2.1]h, 1,2,3,4,7,7-hexachloro-5-prop-2-enoxycarbonylbicyclo[2.2.1]hept-2-ene-6-carboxylic acid, 1,4,5,6,7,7-Hexachloro-3-prop-2-enoxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 1,4,5,6,7,7-hexachloro-3-[(prop-2-en-1-yloxy)carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 1,4,5,6,7,7-Hexachloro-3-{[(prop-2-en-1-yl)oxy]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
| Molecular Formula | C12H8Cl6O4 |
|---|---|
| Molecular Weight | 425.86 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 425.85538 |
| Heavy Atoms | 22 |
| Complexity | 602.0 |
Chemical Identifiers
| CAS Number | 968-36-5 |
|---|---|
| SMILES | C=CCOC(=O)C1C(C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)C(=O)O |
| InChIKey | FIVWWYSCGLNNRD-UHFFFAOYSA-N |
Product Overview
3-((allyloxy)carbonyl)-1,4,5,6,7,7-hexachlorobicyclo[2.2.1]h (CAS 968-36-5), with molecular formula C12H8Cl6O4 and molecular weight 425.86 g/mol. IUPAC: 1,4,5,6,7,7-hexachloro-3-prop-2-enoxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid.
Chemical Property Profile of 3-((allyloxy)carbonyl)-1,4,5,6,7,7-hexachlorobicyclo[2.2.1]h
Property Insights of 3-((allyloxy)carbonyl)-1,4,5,6,7,7-hexachlorobicyclo[2.2.1]h
The XLogP value of 3.0 indicates that 3-((allyloxy)carbonyl)-1,4,5,6,7,7-hexachlorobicyclo[2.2.1]h is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((allyloxy)carbonyl)-1,4,5,6,7,7-hexachlorobicyclo[2.2.1]h. Following Lipinski's Rule of Five, 3-((allyloxy)carbonyl)-1,4,5,6,7,7-hexachlorobicyclo[2.2.1]h has 1 hydrogen bond donor(s) and 4 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 3-((allyloxy)carbonyl)-1,4,5,6,7,7-hexachlorobicyclo[2.2.1]h?
The CAS number of 3-((allyloxy)carbonyl)-1,4,5,6,7,7-hexachlorobicyclo[2.2.1]h is 968-36-5.
What is the molecular formula of 3-((allyloxy)carbonyl)-1,4,5,6,7,7-hexachlorobicyclo[2.2.1]h?
The molecular formula of 3-((allyloxy)carbonyl)-1,4,5,6,7,7-hexachlorobicyclo[2.2.1]h is C12H8Cl6O4.
What is the molecular weight of 3-((allyloxy)carbonyl)-1,4,5,6,7,7-hexachlorobicyclo[2.2.1]h?
The molecular weight of 3-((allyloxy)carbonyl)-1,4,5,6,7,7-hexachlorobicyclo[2.2.1]h is 425.86 g/mol.
Where can I buy 3-((allyloxy)carbonyl)-1,4,5,6,7,7-hexachlorobicyclo[2.2.1]h?
You can request a quote for 3-((allyloxy)carbonyl)-1,4,5,6,7,7-hexachlorobicyclo[2.2.1]h directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((allyloxy)carbonyl)-1,4,5,6,7,7-hexachlorobicyclo[2.2.1]h?
Yes, KEHONG BIO provides custom synthesis services for 3-((allyloxy)carbonyl)-1,4,5,6,7,7-hexachlorobicyclo[2.2.1]h and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.