Butane-1,4-diyl bis(trichloroacetate)
TL;DR: Butane-1,4-diyl bis(trichloroacetate) (CAS 4479-25-8) is a chemical compound with molecular formula C8H8Cl6O4 and molecular weight 377.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,2,2-trichloroacetyl)oxybutyl 2,2,2-trichloroacetate
Also Known As: butane-1,4-diyl bis(trichloroacetate), 4-(2,2,2-trichloroacetyl)oxybutyl 2,2,2-trichloroacetate, RefChem:330537
| Molecular Formula | C8H8Cl6O4 |
|---|---|
| Molecular Weight | 377.86 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 377.85538 |
| Heavy Atoms | 18 |
| Complexity | 265.0 |
Chemical Identifiers
| CAS Number | 4479-25-8 |
|---|---|
| SMILES | C(CCOC(=O)C(Cl)(Cl)Cl)COC(=O)C(Cl)(Cl)Cl |
| InChIKey | ROTZRZUARMDTQV-UHFFFAOYSA-N |
Product Overview
Butane-1,4-diyl bis(trichloroacetate) (CAS 4479-25-8), with molecular formula C8H8Cl6O4 and molecular weight 377.86 g/mol. IUPAC: 4-(2,2,2-trichloroacetyl)oxybutyl 2,2,2-trichloroacetate.
Chemical Property Profile of Butane-1,4-diyl bis(trichloroacetate)
Property Insights of Butane-1,4-diyl bis(trichloroacetate)
The XLogP value of 4.4 indicates that Butane-1,4-diyl bis(trichloroacetate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Butane-1,4-diyl bis(trichloroacetate) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butane-1,4-diyl bis(trichloroacetate) has 0 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 Butane-1,4-diyl bis(trichloroacetate)?
The CAS number of Butane-1,4-diyl bis(trichloroacetate) is 4479-25-8.
What is the molecular formula of Butane-1,4-diyl bis(trichloroacetate)?
The molecular formula of Butane-1,4-diyl bis(trichloroacetate) is C8H8Cl6O4.
What is the molecular weight of Butane-1,4-diyl bis(trichloroacetate)?
The molecular weight of Butane-1,4-diyl bis(trichloroacetate) is 377.86 g/mol.
Where can I buy Butane-1,4-diyl bis(trichloroacetate)?
You can request a quote for Butane-1,4-diyl bis(trichloroacetate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butane-1,4-diyl bis(trichloroacetate)?
Yes, KEHONG BIO provides custom synthesis services for Butane-1,4-diyl bis(trichloroacetate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.