Benzeneacetic acid, alpha-methyl-3-(1H-pyrrol-2-ylcarbonyl)-
TL;DR: Benzeneacetic acid, alpha-methyl-3-(1H-pyrrol-2-ylcarbonyl)- (CAS 77614-43-8) is a chemical compound with molecular formula C14H13NO3 and molecular weight 243.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(1H-pyrrole-2-carbonyl)phenyl]propanoic acid
Also Known As: 2-[3-(1H-pyrrole-2-carbonyl)phenyl]propanoic acid, alpha-Methyl-3-(1H-pyrrol-2-ylcarbonyl)benzeneacetic acid, Benzeneacetic acid, alpha-methyl-3-(1H-pyrrol-2-ylcarbonyl)-, 2-(3-(1H-Pyrrole-2-carbonyl)phenyl)propanoic acid, Benzeneacetic acid, a-methyl-3-(1H-pyrrol-2-ylcarbonyl)-
| Molecular Formula | C14H13NO3 |
|---|---|
| Molecular Weight | 243.09 g/mol |
| LogP | 2.4338 |
| Topological Polar Surface Area | 70.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 243.08954 |
| Heavy Atoms | 18 |
| Complexity | 572.48486 |
Chemical Identifiers
| CAS Number | 77614-43-8 |
|---|---|
| SMILES | CC(C1=CC(=CC=C1)C(=O)C2=CC=CN2)C(=O)O |
Product Overview
Benzeneacetic acid, alpha-methyl-3-(1H-pyrrol-2-ylcarbonyl)- (CAS 77614-43-8), with molecular formula C14H13NO3 and molecular weight 243.09 g/mol. IUPAC: 2-[3-(1H-pyrrole-2-carbonyl)phenyl]propanoic acid.
Chemical Property Profile of Benzeneacetic acid, alpha-methyl-3-(1H-pyrrol-2-ylcarbonyl)-
Property Insights of Benzeneacetic acid, alpha-methyl-3-(1H-pyrrol-2-ylcarbonyl)-
The XLogP value of 2.4338 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzeneacetic acid, alpha-methyl-3-(1H-pyrrol-2-ylcarbonyl)-. The TPSA of 70.16 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzeneacetic acid, alpha-methyl-3-(1H-pyrrol-2-ylcarbonyl)-. Following Lipinski's Rule of Five, Benzeneacetic acid, alpha-methyl-3-(1H-pyrrol-2-ylcarbonyl)- has 2 hydrogen bond donor(s) and 2 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-(1H-pyrrol-2-ylcarbonyl)-?
The CAS number of Benzeneacetic acid, alpha-methyl-3-(1H-pyrrol-2-ylcarbonyl)- is 77614-43-8.
What is the molecular formula of Benzeneacetic acid, alpha-methyl-3-(1H-pyrrol-2-ylcarbonyl)-?
The molecular formula of Benzeneacetic acid, alpha-methyl-3-(1H-pyrrol-2-ylcarbonyl)- is C14H13NO3.
What is the molecular weight of Benzeneacetic acid, alpha-methyl-3-(1H-pyrrol-2-ylcarbonyl)-?
The molecular weight of Benzeneacetic acid, alpha-methyl-3-(1H-pyrrol-2-ylcarbonyl)- is 243.09 g/mol.
Where can I buy Benzeneacetic acid, alpha-methyl-3-(1H-pyrrol-2-ylcarbonyl)-?
You can request a quote for Benzeneacetic acid, alpha-methyl-3-(1H-pyrrol-2-ylcarbonyl)- 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-(1H-pyrrol-2-ylcarbonyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetic acid, alpha-methyl-3-(1H-pyrrol-2-ylcarbonyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.