Benzene-1,4-diyl bis(4-chlorobenzoate)
TL;DR: Benzene-1,4-diyl bis(4-chlorobenzoate) (CAS 62251-53-0) is a chemical compound with molecular formula C20H12Cl2O4 and molecular weight 386.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(4-chlorobenzoyl)oxyphenyl] 4-chlorobenzoate
Also Known As: benzene-1,4-diyl bis(4-chlorobenzoate), [4-(4-chlorobenzoyl)oxyphenyl] 4-chlorobenzoate, 1,4-Phenylene bis(4-chlorobenzoate), Bis(4-chlorobenzoic acid)1,4-phenylene ester, J1.789.303C
| Molecular Formula | C20H12Cl2O4 |
|---|---|
| Molecular Weight | 386.01 g/mol |
| LogP | 6.0 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 386.01126 |
| Heavy Atoms | 26 |
| Complexity | 430.0 |
Chemical Identifiers
| CAS Number | 62251-53-0 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)OC2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)Cl)Cl |
| InChIKey | GPEJTVXJCWKUAB-UHFFFAOYSA-N |
Product Overview
Benzene-1,4-diyl bis(4-chlorobenzoate) (CAS 62251-53-0), with molecular formula C20H12Cl2O4 and molecular weight 386.01 g/mol. IUPAC: [4-(4-chlorobenzoyl)oxyphenyl] 4-chlorobenzoate.
Chemical Property Profile of Benzene-1,4-diyl bis(4-chlorobenzoate)
Property Insights of Benzene-1,4-diyl bis(4-chlorobenzoate)
The XLogP value of 6.0 indicates that Benzene-1,4-diyl bis(4-chlorobenzoate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Benzene-1,4-diyl bis(4-chlorobenzoate) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene-1,4-diyl bis(4-chlorobenzoate) 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 Benzene-1,4-diyl bis(4-chlorobenzoate)?
The CAS number of Benzene-1,4-diyl bis(4-chlorobenzoate) is 62251-53-0.
What is the molecular formula of Benzene-1,4-diyl bis(4-chlorobenzoate)?
The molecular formula of Benzene-1,4-diyl bis(4-chlorobenzoate) is C20H12Cl2O4.
What is the molecular weight of Benzene-1,4-diyl bis(4-chlorobenzoate)?
The molecular weight of Benzene-1,4-diyl bis(4-chlorobenzoate) is 386.01 g/mol.
Where can I buy Benzene-1,4-diyl bis(4-chlorobenzoate)?
You can request a quote for Benzene-1,4-diyl bis(4-chlorobenzoate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene-1,4-diyl bis(4-chlorobenzoate)?
Yes, KEHONG BIO provides custom synthesis services for Benzene-1,4-diyl bis(4-chlorobenzoate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.