1,4-Benzenedicarboxylic acid, bis(4-nitrophenyl) ester
TL;DR: 1,4-Benzenedicarboxylic acid, bis(4-nitrophenyl) ester (CAS 3838-05-9) 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.
bis(4-nitrophenyl) benzene-1,4-dicarboxylate
Also Known As: Bis(p-Nitrophenyl)terephthalate, bis(4-nitrophenyl) benzene-1,4-dicarboxylate, Terephthalic acid bis(4-nitrophenyl) ester, 1,4-Benzenedicarboxylic acid, bis(4-nitrophenyl) ester, J1.799.976A
| Molecular Formula | C20H12N2O8 |
|---|---|
| Molecular Weight | 408.06 g/mol |
| LogP | 3.9414 |
| Topological Polar Surface Area | 138.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 408.05936 |
| Heavy Atoms | 30 |
| Complexity | 1016.5532 |
Chemical Identifiers
| CAS Number | 3838-05-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
1,4-Benzenedicarboxylic acid, bis(4-nitrophenyl) ester (CAS 3838-05-9), with molecular formula C20H12N2O8 and molecular weight 408.06 g/mol. IUPAC: bis(4-nitrophenyl) benzene-1,4-dicarboxylate.
Chemical Property Profile of 1,4-Benzenedicarboxylic acid, bis(4-nitrophenyl) ester
Property Insights of 1,4-Benzenedicarboxylic acid, bis(4-nitrophenyl) ester
The XLogP value of 3.9414 indicates that 1,4-Benzenedicarboxylic acid, bis(4-nitrophenyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 138.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Benzenedicarboxylic acid, bis(4-nitrophenyl) ester. Following Lipinski's Rule of Five, 1,4-Benzenedicarboxylic acid, bis(4-nitrophenyl) ester 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-Benzenedicarboxylic acid, bis(4-nitrophenyl) ester?
The CAS number of 1,4-Benzenedicarboxylic acid, bis(4-nitrophenyl) ester is 3838-05-9.
What is the molecular formula of 1,4-Benzenedicarboxylic acid, bis(4-nitrophenyl) ester?
The molecular formula of 1,4-Benzenedicarboxylic acid, bis(4-nitrophenyl) ester is C20H12N2O8.
What is the molecular weight of 1,4-Benzenedicarboxylic acid, bis(4-nitrophenyl) ester?
The molecular weight of 1,4-Benzenedicarboxylic acid, bis(4-nitrophenyl) ester is 408.06 g/mol.
Where can I buy 1,4-Benzenedicarboxylic acid, bis(4-nitrophenyl) ester?
You can request a quote for 1,4-Benzenedicarboxylic acid, bis(4-nitrophenyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Benzenedicarboxylic acid, bis(4-nitrophenyl) ester?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Benzenedicarboxylic acid, bis(4-nitrophenyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.