2-Ethyl-4-(3-nitro-phenylcarbamoyl)-butyric acid
TL;DR: 2-Ethyl-4-(3-nitro-phenylcarbamoyl)-butyric acid (CAS 799795-47-4) is a chemical compound with molecular formula C13H16N2O5 and molecular weight 280.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethyl-5-(3-nitroanilino)-5-oxopentanoic acid
Also Known As: 2-ethyl-5-(3-nitroanilino)-5-oxopentanoic acid, 2-Ethyl-4-(3-nitro-phenylcarbamoyl)-butyric acid, 2-ethyl-4-[(3-nitrophenyl)carbamoyl]butanoic Acid, 2-ethyl-5-((3-nitrophenyl)amino)-5-oxopentanoic acid, 2-ethyl-5-[(3-nitrophenyl)amino]-5-oxopentanoic acid
| Molecular Formula | C13H16N2O5 |
|---|---|
| Molecular Weight | 280.11 g/mol |
| LogP | 2.4243 |
| Topological Polar Surface Area | 109.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 280.10593 |
| Heavy Atoms | 20 |
| Complexity | 515.2379 |
Chemical Identifiers
| CAS Number | 799795-47-4 |
|---|---|
| SMILES | CCC(CCC(=O)NC1=CC(=CC=C1)[N+](=O)[O-])C(=O)O |
Product Overview
2-Ethyl-4-(3-nitro-phenylcarbamoyl)-butyric acid (CAS 799795-47-4), with molecular formula C13H16N2O5 and molecular weight 280.11 g/mol. IUPAC: 2-ethyl-5-(3-nitroanilino)-5-oxopentanoic acid.
Chemical Property Profile of 2-Ethyl-4-(3-nitro-phenylcarbamoyl)-butyric acid
Property Insights of 2-Ethyl-4-(3-nitro-phenylcarbamoyl)-butyric acid
The XLogP value of 2.4243 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethyl-4-(3-nitro-phenylcarbamoyl)-butyric acid. The TPSA of 109.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Ethyl-4-(3-nitro-phenylcarbamoyl)-butyric acid. Following Lipinski's Rule of Five, 2-Ethyl-4-(3-nitro-phenylcarbamoyl)-butyric acid has 2 hydrogen bond donor(s) and 4 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 2-Ethyl-4-(3-nitro-phenylcarbamoyl)-butyric acid?
The CAS number of 2-Ethyl-4-(3-nitro-phenylcarbamoyl)-butyric acid is 799795-47-4.
What is the molecular formula of 2-Ethyl-4-(3-nitro-phenylcarbamoyl)-butyric acid?
The molecular formula of 2-Ethyl-4-(3-nitro-phenylcarbamoyl)-butyric acid is C13H16N2O5.
What is the molecular weight of 2-Ethyl-4-(3-nitro-phenylcarbamoyl)-butyric acid?
The molecular weight of 2-Ethyl-4-(3-nitro-phenylcarbamoyl)-butyric acid is 280.11 g/mol.
Where can I buy 2-Ethyl-4-(3-nitro-phenylcarbamoyl)-butyric acid?
You can request a quote for 2-Ethyl-4-(3-nitro-phenylcarbamoyl)-butyric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethyl-4-(3-nitro-phenylcarbamoyl)-butyric acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethyl-4-(3-nitro-phenylcarbamoyl)-butyric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.