4-Ethoxycarbonyl-4'-nitrobenzophenone
TL;DR: 4-Ethoxycarbonyl-4'-nitrobenzophenone (CAS 760192-95-8) is a chemical compound with molecular formula C16H13NO5 and molecular weight 299.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(4-nitrobenzoyl)benzoate
Also Known As: 4-ETHOXYCARBONYL-4'-NITROBENZOPHENONE, Ethyl 4-(4-nitrobenzoyl)benzoate, Ethyl 4-(4-nitrobenzoyl)benzoate #, Benzoic acid, 4-(4-nitrobenzoyl)-, ethyl ester
| Molecular Formula | C16H13NO5 |
|---|---|
| Molecular Weight | 299.08 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 89.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 299.07938 |
| Heavy Atoms | 22 |
| Complexity | 415.0 |
Chemical Identifiers
| CAS Number | 760192-95-8 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | SHCZCLVDUFEGFY-UHFFFAOYSA-N |
Product Overview
4-Ethoxycarbonyl-4'-nitrobenzophenone (CAS 760192-95-8), with molecular formula C16H13NO5 and molecular weight 299.08 g/mol. IUPAC: ethyl 4-(4-nitrobenzoyl)benzoate.
Chemical Property Profile of 4-Ethoxycarbonyl-4'-nitrobenzophenone
Property Insights of 4-Ethoxycarbonyl-4'-nitrobenzophenone
The XLogP value of 3.7 indicates that 4-Ethoxycarbonyl-4'-nitrobenzophenone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Ethoxycarbonyl-4'-nitrobenzophenone. Following Lipinski's Rule of Five, 4-Ethoxycarbonyl-4'-nitrobenzophenone has 0 hydrogen bond donor(s) and 5 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 4-Ethoxycarbonyl-4'-nitrobenzophenone?
The CAS number of 4-Ethoxycarbonyl-4'-nitrobenzophenone is 760192-95-8.
What is the molecular formula of 4-Ethoxycarbonyl-4'-nitrobenzophenone?
The molecular formula of 4-Ethoxycarbonyl-4'-nitrobenzophenone is C16H13NO5.
What is the molecular weight of 4-Ethoxycarbonyl-4'-nitrobenzophenone?
The molecular weight of 4-Ethoxycarbonyl-4'-nitrobenzophenone is 299.08 g/mol.
Where can I buy 4-Ethoxycarbonyl-4'-nitrobenzophenone?
You can request a quote for 4-Ethoxycarbonyl-4'-nitrobenzophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Ethoxycarbonyl-4'-nitrobenzophenone?
Yes, KEHONG BIO provides custom synthesis services for 4-Ethoxycarbonyl-4'-nitrobenzophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.