Benzene-1,4-diyl bis(chloroacetate)
TL;DR: Benzene-1,4-diyl bis(chloroacetate) (CAS 114460-37-6) is a chemical compound with molecular formula C10H8Cl2O4 and molecular weight 261.97995 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-(2-chloroacetyl)oxyphenyl] 2-chloroacetate
Also Known As: benzene-1,4-diyl bis(chloroacetate), Bis-O-chloracetyl-hydrochinon, 1,4-Phenylene bis(chloroacetate), [4-(2-chloroacetyl)oxyphenyl] 2-chloroacetate, 4-[(2-chloroacetyl)oxy]phenyl chloroacetate
Technical Specifications
| Molecular Formula | C10H8Cl2O4 |
| Molecular Weight | 261.97995 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 261.97995 Da |
| Heavy Atoms | 16 |
| Complexity | 223.0 |
| SMILES | C1=CC(=CC=C1OC(=O)CCl)OC(=O)CCl |
| InChIKey | OWBDABIHQWZKLK-UHFFFAOYSA-N |
Chemical Property Profile of Benzene-1,4-diyl bis(chloroacetate)
Property Insights of Benzene-1,4-diyl bis(chloroacetate)
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzene-1,4-diyl bis(chloroacetate). With a topological polar surface area (TPSA) of 52.6 Ų, Benzene-1,4-diyl bis(chloroacetate) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene-1,4-diyl bis(chloroacetate) 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
What is the CAS number of Benzene-1,4-diyl bis(chloroacetate)?
The CAS number of Benzene-1,4-diyl bis(chloroacetate) is 114460-37-6.
What is the molecular formula of Benzene-1,4-diyl bis(chloroacetate)?
The molecular formula of Benzene-1,4-diyl bis(chloroacetate) is C10H8Cl2O4.
What is the molecular weight of Benzene-1,4-diyl bis(chloroacetate)?
The molecular weight of Benzene-1,4-diyl bis(chloroacetate) is 261.97995 g/mol.
Where can I buy Benzene-1,4-diyl bis(chloroacetate)?
You can request a quote for Benzene-1,4-diyl bis(chloroacetate) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzene-1,4-diyl bis(chloroacetate)?
Yes, CoreyChem provides custom synthesis services for Benzene-1,4-diyl bis(chloroacetate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.