Dibutyl chlorendate
TL;DR: Dibutyl chlorendate (CAS 21018-32-6) is a chemical compound with molecular formula C17H20Cl6O4 and molecular weight 497.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dibutyl 1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
Also Known As: Dibutyl chlorendate, Chlorendic acid dibutyl ester, Dibutyl chloredate, EINECS 217-192-9, AI3-31485
| Molecular Formula | C17H20Cl6O4 |
|---|---|
| Molecular Weight | 497.95 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 497.94928 |
| Heavy Atoms | 27 |
| Complexity | 599.0 |
Chemical Identifiers
| CAS Number | 21018-32-6 |
|---|---|
| SMILES | CCCCOC(=O)C1C(C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)C(=O)OCCCC |
| InChIKey | UJAHPBDUQZFDLA-UHFFFAOYSA-N |
Product Overview
Dibutyl chlorendate (CAS 21018-32-6), with molecular formula C17H20Cl6O4 and molecular weight 497.95 g/mol. IUPAC: dibutyl 1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate.
Chemical Property Profile of Dibutyl chlorendate
Property Insights of Dibutyl chlorendate
The XLogP value of 5.2 indicates that Dibutyl chlorendate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Dibutyl chlorendate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dibutyl chlorendate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dibutyl chlorendate?
The CAS number of Dibutyl chlorendate is 21018-32-6.
What is the molecular formula of Dibutyl chlorendate?
The molecular formula of Dibutyl chlorendate is C17H20Cl6O4.
What is the molecular weight of Dibutyl chlorendate?
The molecular weight of Dibutyl chlorendate is 497.95 g/mol.
Where can I buy Dibutyl chlorendate?
You can request a quote for Dibutyl chlorendate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibutyl chlorendate?
Yes, KEHONG BIO provides custom synthesis services for Dibutyl chlorendate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.