Benzeneacetic acid, 3-amino-alpha-methyl-4-(1H-pyrrol-1-yl)-
TL;DR: Benzeneacetic acid, 3-amino-alpha-methyl-4-(1H-pyrrol-1-yl)- (CAS 67376-85-6) is a chemical compound with molecular formula C13H14N2O2 and molecular weight 230.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-amino-4-pyrrol-1-ylphenyl)propanoic acid
Also Known As: 2-(3'-Amino-4-(1''-pyrrolyl)phenyl)propionic acid, 3-Amino-alpha-methyl-4-(1H-pyrrol-1-yl)benzeneacetic acid, 2-(3-amino-4-pyrrol-1-ylphenyl)propanoic acid, Benzeneacetic acid, 3-amino-alpha-methyl-4-(1H-pyrrol-1-yl)-, 2-[3-Amino-4-(1H-pyrrol-1-yl)phenyl]propanoic acid
| Molecular Formula | C13H14N2O2 |
|---|---|
| Molecular Weight | 230.11 g/mol |
| LogP | 2.2476 |
| Topological Polar Surface Area | 68.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 230.10553 |
| Heavy Atoms | 17 |
| Complexity | 532.3574 |
Chemical Identifiers
| CAS Number | 67376-85-6 |
|---|---|
| SMILES | CC(C1=CC(=C(C=C1)N2C=CC=C2)N)C(=O)O |
Product Overview
Benzeneacetic acid, 3-amino-alpha-methyl-4-(1H-pyrrol-1-yl)- (CAS 67376-85-6), with molecular formula C13H14N2O2 and molecular weight 230.11 g/mol. IUPAC: 2-(3-amino-4-pyrrol-1-ylphenyl)propanoic acid.
Chemical Property Profile of Benzeneacetic acid, 3-amino-alpha-methyl-4-(1H-pyrrol-1-yl)-
Property Insights of Benzeneacetic acid, 3-amino-alpha-methyl-4-(1H-pyrrol-1-yl)-
The XLogP value of 2.2476 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzeneacetic acid, 3-amino-alpha-methyl-4-(1H-pyrrol-1-yl)-. The TPSA of 68.25 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzeneacetic acid, 3-amino-alpha-methyl-4-(1H-pyrrol-1-yl)-. Following Lipinski's Rule of Five, Benzeneacetic acid, 3-amino-alpha-methyl-4-(1H-pyrrol-1-yl)- 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, 3-amino-alpha-methyl-4-(1H-pyrrol-1-yl)-?
The CAS number of Benzeneacetic acid, 3-amino-alpha-methyl-4-(1H-pyrrol-1-yl)- is 67376-85-6.
What is the molecular formula of Benzeneacetic acid, 3-amino-alpha-methyl-4-(1H-pyrrol-1-yl)-?
The molecular formula of Benzeneacetic acid, 3-amino-alpha-methyl-4-(1H-pyrrol-1-yl)- is C13H14N2O2.
What is the molecular weight of Benzeneacetic acid, 3-amino-alpha-methyl-4-(1H-pyrrol-1-yl)-?
The molecular weight of Benzeneacetic acid, 3-amino-alpha-methyl-4-(1H-pyrrol-1-yl)- is 230.11 g/mol.
Where can I buy Benzeneacetic acid, 3-amino-alpha-methyl-4-(1H-pyrrol-1-yl)-?
You can request a quote for Benzeneacetic acid, 3-amino-alpha-methyl-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, 3-amino-alpha-methyl-4-(1H-pyrrol-1-yl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetic acid, 3-amino-alpha-methyl-4-(1H-pyrrol-1-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.