1,4-Phenylene bis(3-nitrobenzoate)
TL;DR: 1,4-Phenylene bis(3-nitrobenzoate) (CAS 93675-49-1) is a chemical compound with molecular formula C20H12N2O8 and molecular weight 408.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(3-nitrobenzoyl)oxyphenyl] 3-nitrobenzoate
Also Known As: 1,4-Phenylene bis(3-nitrobenzoate), 1,4-Bis(3-nitrobenzoyloxy)benzene, benzene-1,4-diyl bis(3-nitrobenzoate), J3.311.896A, [4-(3-nitrobenzoyl)oxyphenyl] 3-nitrobenzoate
| Molecular Formula | C20H12N2O8 |
|---|---|
| Molecular Weight | 408.06 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 144.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 408.05936 |
| Heavy Atoms | 30 |
| Complexity | 594.0 |
Chemical Identifiers
| CAS Number | 93675-49-1 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC2=CC=C(C=C2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-] |
| InChIKey | RXQOXZNMKWEJLC-UHFFFAOYSA-N |
Product Overview
1,4-Phenylene bis(3-nitrobenzoate) (CAS 93675-49-1), with molecular formula C20H12N2O8 and molecular weight 408.06 g/mol. IUPAC: [4-(3-nitrobenzoyl)oxyphenyl] 3-nitrobenzoate.
Chemical Property Profile of 1,4-Phenylene bis(3-nitrobenzoate)
Property Insights of 1,4-Phenylene bis(3-nitrobenzoate)
The XLogP value of 4.4 indicates that 1,4-Phenylene bis(3-nitrobenzoate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 144.0 Ų indicates high polarity, suggesting 1,4-Phenylene bis(3-nitrobenzoate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,4-Phenylene bis(3-nitrobenzoate) has 0 hydrogen bond donor(s) and 8 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 1,4-Phenylene bis(3-nitrobenzoate)?
The CAS number of 1,4-Phenylene bis(3-nitrobenzoate) is 93675-49-1.
What is the molecular formula of 1,4-Phenylene bis(3-nitrobenzoate)?
The molecular formula of 1,4-Phenylene bis(3-nitrobenzoate) is C20H12N2O8.
What is the molecular weight of 1,4-Phenylene bis(3-nitrobenzoate)?
The molecular weight of 1,4-Phenylene bis(3-nitrobenzoate) is 408.06 g/mol.
Where can I buy 1,4-Phenylene bis(3-nitrobenzoate)?
You can request a quote for 1,4-Phenylene bis(3-nitrobenzoate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Phenylene bis(3-nitrobenzoate)?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Phenylene bis(3-nitrobenzoate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.