Methyl 2,2,3,4,5,5-hexachloro-4-pentenoate
TL;DR: Methyl 2,2,3,4,5,5-hexachloro-4-pentenoate (CAS 89487-84-3) is a chemical compound with molecular formula C6H4Cl6O2 and molecular weight 317.83 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,2,3,4,5,5-hexachloropent-4-enoate
Also Known As: Methyl 2,2,3,4,5,5-hexachloropent-4-enoate, METHYL 2,2,3,4,5,5-HEXACHLORO-4-PENTENOATE
| Molecular Formula | C6H4Cl6O2 |
|---|---|
| Molecular Weight | 317.83 g/mol |
| LogP | 3.8262 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 317.83426 |
| Heavy Atoms | 14 |
| Complexity | 257.04733 |
Chemical Identifiers
| CAS Number | 89487-84-3 |
|---|---|
| SMILES | COC(=O)C(C(C(=C(Cl)Cl)Cl)Cl)(Cl)Cl |
Product Overview
Methyl 2,2,3,4,5,5-hexachloro-4-pentenoate (CAS 89487-84-3), with molecular formula C6H4Cl6O2 and molecular weight 317.83 g/mol. IUPAC: methyl 2,2,3,4,5,5-hexachloropent-4-enoate.
Chemical Property Profile of Methyl 2,2,3,4,5,5-hexachloro-4-pentenoate
Property Insights of Methyl 2,2,3,4,5,5-hexachloro-4-pentenoate
The XLogP value of 3.8262 indicates that Methyl 2,2,3,4,5,5-hexachloro-4-pentenoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 2,2,3,4,5,5-hexachloro-4-pentenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2,2,3,4,5,5-hexachloro-4-pentenoate 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 Methyl 2,2,3,4,5,5-hexachloro-4-pentenoate?
The CAS number of Methyl 2,2,3,4,5,5-hexachloro-4-pentenoate is 89487-84-3.
What is the molecular formula of Methyl 2,2,3,4,5,5-hexachloro-4-pentenoate?
The molecular formula of Methyl 2,2,3,4,5,5-hexachloro-4-pentenoate is C6H4Cl6O2.
What is the molecular weight of Methyl 2,2,3,4,5,5-hexachloro-4-pentenoate?
The molecular weight of Methyl 2,2,3,4,5,5-hexachloro-4-pentenoate is 317.83 g/mol.
Where can I buy Methyl 2,2,3,4,5,5-hexachloro-4-pentenoate?
You can request a quote for Methyl 2,2,3,4,5,5-hexachloro-4-pentenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2,2,3,4,5,5-hexachloro-4-pentenoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2,2,3,4,5,5-hexachloro-4-pentenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.