3-(3-Nitrophenylaminocarbonyl)propionic acid
TL;DR: 3-(3-Nitrophenylaminocarbonyl)propionic acid (CAS 1797-93-9) is a chemical compound with molecular formula C10H10N2O5 and molecular weight 238.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-nitroanilino)-4-oxobutanoic acid
Also Known As: 4-(3-nitroanilino)-4-oxobutanoic acid, CBKinase1_000405, CBKinase1_012805, 3-(3-nitrophenylaminocarbonyl)propionic acid, 3-[(3-nitrophenyl)carbamoyl]propanoic acid
| Molecular Formula | C10H10N2O5 |
|---|---|
| Molecular Weight | 238.06 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 238.05898 |
| Heavy Atoms | 17 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 1797-93-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)CCC(=O)O |
| InChIKey | IUDLIFNJGGQWBX-UHFFFAOYSA-N |
Product Overview
3-(3-Nitrophenylaminocarbonyl)propionic acid (CAS 1797-93-9), with molecular formula C10H10N2O5 and molecular weight 238.06 g/mol. IUPAC: 4-(3-nitroanilino)-4-oxobutanoic acid.
Chemical Property Profile of 3-(3-Nitrophenylaminocarbonyl)propionic acid
Property Insights of 3-(3-Nitrophenylaminocarbonyl)propionic acid
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-Nitrophenylaminocarbonyl)propionic acid. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-Nitrophenylaminocarbonyl)propionic acid. Following Lipinski's Rule of Five, 3-(3-Nitrophenylaminocarbonyl)propionic acid has 2 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 3-(3-Nitrophenylaminocarbonyl)propionic acid?
The CAS number of 3-(3-Nitrophenylaminocarbonyl)propionic acid is 1797-93-9.
What is the molecular formula of 3-(3-Nitrophenylaminocarbonyl)propionic acid?
The molecular formula of 3-(3-Nitrophenylaminocarbonyl)propionic acid is C10H10N2O5.
What is the molecular weight of 3-(3-Nitrophenylaminocarbonyl)propionic acid?
The molecular weight of 3-(3-Nitrophenylaminocarbonyl)propionic acid is 238.06 g/mol.
Where can I buy 3-(3-Nitrophenylaminocarbonyl)propionic acid?
You can request a quote for 3-(3-Nitrophenylaminocarbonyl)propionic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-Nitrophenylaminocarbonyl)propionic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Nitrophenylaminocarbonyl)propionic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.