bis-(4-Nitrophenyl)acetic acid, methyl ester
TL;DR: bis-(4-Nitrophenyl)acetic acid, methyl ester (CAS 83004-43-7) is a chemical compound with molecular formula C15H12N2O6 and molecular weight 316.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,2-bis(4-nitrophenyl)acetate
Also Known As: bis-(4-Nitrophenyl)acetic acid, methyl ester, methyl 2,2-bis(4-nitrophenyl)acetate, methyl 2,2-bis(4-nitrophenyl)ethanoate
| Molecular Formula | C15H12N2O6 |
|---|---|
| Molecular Weight | 316.07 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 316.06955 |
| Heavy Atoms | 23 |
| Complexity | 408.0 |
Chemical Identifiers
| CAS Number | 83004-43-7 |
|---|---|
| SMILES | COC(=O)C(C1=CC=C(C=C1)[N+](=O)[O-])C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | NNEDABBMQBFHAQ-UHFFFAOYSA-N |
Product Overview
bis-(4-Nitrophenyl)acetic acid, methyl ester (CAS 83004-43-7), with molecular formula C15H12N2O6 and molecular weight 316.07 g/mol. IUPAC: methyl 2,2-bis(4-nitrophenyl)acetate.
Chemical Property Profile of bis-(4-Nitrophenyl)acetic acid, methyl ester
Property Insights of bis-(4-Nitrophenyl)acetic acid, methyl ester
The XLogP value of 3.1 indicates that bis-(4-Nitrophenyl)acetic acid, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for bis-(4-Nitrophenyl)acetic acid, methyl ester. Following Lipinski's Rule of Five, bis-(4-Nitrophenyl)acetic acid, methyl ester has 0 hydrogen bond donor(s) and 6 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 bis-(4-Nitrophenyl)acetic acid, methyl ester?
The CAS number of bis-(4-Nitrophenyl)acetic acid, methyl ester is 83004-43-7.
What is the molecular formula of bis-(4-Nitrophenyl)acetic acid, methyl ester?
The molecular formula of bis-(4-Nitrophenyl)acetic acid, methyl ester is C15H12N2O6.
What is the molecular weight of bis-(4-Nitrophenyl)acetic acid, methyl ester?
The molecular weight of bis-(4-Nitrophenyl)acetic acid, methyl ester is 316.07 g/mol.
Where can I buy bis-(4-Nitrophenyl)acetic acid, methyl ester?
You can request a quote for bis-(4-Nitrophenyl)acetic acid, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for bis-(4-Nitrophenyl)acetic acid, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for bis-(4-Nitrophenyl)acetic acid, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.