氯菌酸酐己醇酯
TL;DR: 氯菌酸酐己醇酯 (CAS 68186-72-1) is a chemical compound with molecular formula C15H16Cl6O4 and molecular weight 469.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氯菌酸酐己醇酯
1,4,5,6,7,7-hexachloro-3-hexoxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Also Known As: Chlorendic anhydride, hexanol ester, J1.556.604C, 1,4,5,6,7,7-hexachloro-3-[(hexyloxy)carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, 1,4,5,6,7,7-hexachloro-, hexyl ester, Bicyclo(2.2.1)hept-5-ene-2,3-dicarboxylic acid, 1,4,5,6,7,7-hexachloro-, hexyl ester
| Molecular Formula | C15H16Cl6O4 |
|---|---|
| Molecular Weight | 469.92 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 471.91504 |
| Heavy Atoms | 25 |
| Complexity | 621.0 |
Chemical Identifiers
| CAS Number | 68186-72-1 |
|---|---|
| SMILES | CCCCCCOC(=O)C1C(C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)C(=O)O |
| InChIKey | LPEOUEDVYKKKMC-UHFFFAOYSA-N |
Product Overview
氯菌酸酐己醇酯 (CAS 68186-72-1), with molecular formula C15H16Cl6O4 and molecular weight 469.92 g/mol. IUPAC: 1,4,5,6,7,7-hexachloro-3-hexoxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid.
Chemical Property Profile of 氯菌酸酐己醇酯
Property Insights of 氯菌酸酐己醇酯
The XLogP value of 4.7 indicates that 氯菌酸酐己醇酯 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 氯菌酸酐己醇酯. Following Lipinski's Rule of Five, 氯菌酸酐己醇酯 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 氯菌酸酐己醇酯?
The CAS number of 氯菌酸酐己醇酯 is 68186-72-1.
What is the molecular formula of 氯菌酸酐己醇酯?
The molecular formula of 氯菌酸酐己醇酯 is C15H16Cl6O4.
What is the molecular weight of 氯菌酸酐己醇酯?
The molecular weight of 氯菌酸酐己醇酯 is 469.92 g/mol.
Where can I buy 氯菌酸酐己醇酯?
You can request a quote for 氯菌酸酐己醇酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氯菌酸酐己醇酯?
Yes, KEHONG BIO provides custom synthesis services for 氯菌酸酐己醇酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.