Bis(2,3,4,5,6-pentachlorophenyl) but-2-enedioate
TL;DR: Bis(2,3,4,5,6-pentachlorophenyl) but-2-enedioate (CAS 7445-58-1) is a chemical compound with molecular formula C16H2Cl10O4 and molecular weight 607.68 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2,3,4,5,6-pentachlorophenyl) but-2-enedioate
Also Known As: bis(pentachlorophenyl) but-2-enedioate, bis(2,3,4,5,6-pentachlorophenyl) but-2-enedioate
| Molecular Formula | C16H2Cl10O4 |
|---|---|
| Molecular Weight | 607.68 g/mol |
| LogP | 9.6 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 607.68384 |
| Heavy Atoms | 30 |
| Complexity | 580.0 |
Chemical Identifiers
| CAS Number | 7445-58-1 |
|---|---|
| SMILES | C(=CC(=O)OC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)C(=O)OC2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl |
| InChIKey | WVCXKQPDARKGLS-UHFFFAOYSA-N |
Product Overview
Bis(2,3,4,5,6-pentachlorophenyl) but-2-enedioate (CAS 7445-58-1), with molecular formula C16H2Cl10O4 and molecular weight 607.68 g/mol. IUPAC: bis(2,3,4,5,6-pentachlorophenyl) but-2-enedioate.
Chemical Property Profile of Bis(2,3,4,5,6-pentachlorophenyl) but-2-enedioate
Property Insights of Bis(2,3,4,5,6-pentachlorophenyl) but-2-enedioate
The XLogP value of 9.6 indicates that Bis(2,3,4,5,6-pentachlorophenyl) but-2-enedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Bis(2,3,4,5,6-pentachlorophenyl) but-2-enedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bis(2,3,4,5,6-pentachlorophenyl) but-2-enedioate 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 Bis(2,3,4,5,6-pentachlorophenyl) but-2-enedioate?
The CAS number of Bis(2,3,4,5,6-pentachlorophenyl) but-2-enedioate is 7445-58-1.
What is the molecular formula of Bis(2,3,4,5,6-pentachlorophenyl) but-2-enedioate?
The molecular formula of Bis(2,3,4,5,6-pentachlorophenyl) but-2-enedioate is C16H2Cl10O4.
What is the molecular weight of Bis(2,3,4,5,6-pentachlorophenyl) but-2-enedioate?
The molecular weight of Bis(2,3,4,5,6-pentachlorophenyl) but-2-enedioate is 607.68 g/mol.
Where can I buy Bis(2,3,4,5,6-pentachlorophenyl) but-2-enedioate?
You can request a quote for Bis(2,3,4,5,6-pentachlorophenyl) but-2-enedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(2,3,4,5,6-pentachlorophenyl) but-2-enedioate?
Yes, KEHONG BIO provides custom synthesis services for Bis(2,3,4,5,6-pentachlorophenyl) but-2-enedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.