Methyl-4-(m-nitrophenylcarbamoyl)benzoate
TL;DR: Methyl-4-(m-nitrophenylcarbamoyl)benzoate (CAS 119980-44-8) is a chemical compound with molecular formula C15H12N2O5 and molecular weight 300.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(3-nitrophenyl)carbamoyl]benzoate
Also Known As: methyl-4-(m-nitrophenylcarbamoyl)benzoate, methyl 4-[(3-nitroanilino)carbonyl]benzoate, methyl 4-[(3-nitrophenyl)carbamoyl]benzoate, methyl 4-(n-(3-nitrophenyl)carbamoyl)benzoate
| Molecular Formula | C15H12N2O5 |
|---|---|
| Molecular Weight | 300.07 g/mol |
| LogP | 2.6337 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 300.07462 |
| Heavy Atoms | 22 |
| Complexity | 724.9676 |
Chemical Identifiers
| CAS Number | 119980-44-8 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-] |
Product Overview
Methyl-4-(m-nitrophenylcarbamoyl)benzoate (CAS 119980-44-8), with molecular formula C15H12N2O5 and molecular weight 300.07 g/mol. IUPAC: methyl 4-[(3-nitrophenyl)carbamoyl]benzoate.
Chemical Property Profile of Methyl-4-(m-nitrophenylcarbamoyl)benzoate
Property Insights of Methyl-4-(m-nitrophenylcarbamoyl)benzoate
The XLogP value of 2.6337 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl-4-(m-nitrophenylcarbamoyl)benzoate. The TPSA of 98.54 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl-4-(m-nitrophenylcarbamoyl)benzoate. Following Lipinski's Rule of Five, Methyl-4-(m-nitrophenylcarbamoyl)benzoate has 1 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 Methyl-4-(m-nitrophenylcarbamoyl)benzoate?
The CAS number of Methyl-4-(m-nitrophenylcarbamoyl)benzoate is 119980-44-8.
What is the molecular formula of Methyl-4-(m-nitrophenylcarbamoyl)benzoate?
The molecular formula of Methyl-4-(m-nitrophenylcarbamoyl)benzoate is C15H12N2O5.
What is the molecular weight of Methyl-4-(m-nitrophenylcarbamoyl)benzoate?
The molecular weight of Methyl-4-(m-nitrophenylcarbamoyl)benzoate is 300.07 g/mol.
Where can I buy Methyl-4-(m-nitrophenylcarbamoyl)benzoate?
You can request a quote for Methyl-4-(m-nitrophenylcarbamoyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl-4-(m-nitrophenylcarbamoyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl-4-(m-nitrophenylcarbamoyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.