Benzeneacetic acid, alpha-methyl-3-nitro-4-(1H-pyrrol-1-yl)-
TL;DR: Benzeneacetic acid, alpha-methyl-3-nitro-4-(1H-pyrrol-1-yl)- (CAS 67376-84-5) is a chemical compound with molecular formula C13H12N2O4 and molecular weight 260.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-nitro-4-pyrrol-1-ylphenyl)propanoic acid
Also Known As: 2-(3'-Nitro-4'-(1''-pyrrolyl)phenyl)propionic acid, alpha-Methyl-3-nitro-4-(1H-pyrrol-1-yl)benzeneacetic acid, Benzeneacetic acid, alpha-methyl-3-nitro-4-(1H-pyrrol-1-yl)-, 2-(3-nitro-4-pyrrol-1-ylphenyl)propanoic acid, 2-(3-Nitro-4-(1-pyrrolyl)phenyl)propionic acid
| Molecular Formula | C13H12N2O4 |
|---|---|
| Molecular Weight | 260.08 g/mol |
| LogP | 2.5736 |
| Topological Polar Surface Area | 85.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 260.0797 |
| Heavy Atoms | 19 |
| Complexity | 619.57837 |
Chemical Identifiers
| CAS Number | 67376-84-5 |
|---|---|
| SMILES | CC(C1=CC(=C(C=C1)N2C=CC=C2)[N+](=O)[O-])C(=O)O |
Product Overview
Benzeneacetic acid, alpha-methyl-3-nitro-4-(1H-pyrrol-1-yl)- (CAS 67376-84-5), with molecular formula C13H12N2O4 and molecular weight 260.08 g/mol. IUPAC: 2-(3-nitro-4-pyrrol-1-ylphenyl)propanoic acid.
Chemical Property Profile of Benzeneacetic acid, alpha-methyl-3-nitro-4-(1H-pyrrol-1-yl)-
Property Insights of Benzeneacetic acid, alpha-methyl-3-nitro-4-(1H-pyrrol-1-yl)-
The XLogP value of 2.5736 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzeneacetic acid, alpha-methyl-3-nitro-4-(1H-pyrrol-1-yl)-. The TPSA of 85.37 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzeneacetic acid, alpha-methyl-3-nitro-4-(1H-pyrrol-1-yl)-. Following Lipinski's Rule of Five, Benzeneacetic acid, alpha-methyl-3-nitro-4-(1H-pyrrol-1-yl)- has 1 hydrogen bond donor(s) and 3 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 Benzeneacetic acid, alpha-methyl-3-nitro-4-(1H-pyrrol-1-yl)-?
The CAS number of Benzeneacetic acid, alpha-methyl-3-nitro-4-(1H-pyrrol-1-yl)- is 67376-84-5.
What is the molecular formula of Benzeneacetic acid, alpha-methyl-3-nitro-4-(1H-pyrrol-1-yl)-?
The molecular formula of Benzeneacetic acid, alpha-methyl-3-nitro-4-(1H-pyrrol-1-yl)- is C13H12N2O4.
What is the molecular weight of Benzeneacetic acid, alpha-methyl-3-nitro-4-(1H-pyrrol-1-yl)-?
The molecular weight of Benzeneacetic acid, alpha-methyl-3-nitro-4-(1H-pyrrol-1-yl)- is 260.08 g/mol.
Where can I buy Benzeneacetic acid, alpha-methyl-3-nitro-4-(1H-pyrrol-1-yl)-?
You can request a quote for Benzeneacetic acid, alpha-methyl-3-nitro-4-(1H-pyrrol-1-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneacetic acid, alpha-methyl-3-nitro-4-(1H-pyrrol-1-yl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetic acid, alpha-methyl-3-nitro-4-(1H-pyrrol-1-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.