1-benzyl-2-methyl-5-phenyl-1H-pyrrole-3-carboxylic acid
TL;DR: 1-benzyl-2-methyl-5-phenyl-1H-pyrrole-3-carboxylic acid (CAS 879329-79-0) is a chemical compound with molecular formula C19H17NO2 and molecular weight 291.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-2-methyl-5-phenylpyrrole-3-carboxylic acid
Also Known As: ChemDiv3_014191, 1-benzyl-2-methyl-5-phenyl-1H-pyrrole-3-carboxylic acid, IDI1_029989, 1-benzyl-2-methyl-5-phenylpyrrole-3-carboxylic acid, J2.895.855B
| Molecular Formula | C19H17NO2 |
|---|---|
| Molecular Weight | 291.13 g/mol |
| LogP | 4.21002 |
| Topological Polar Surface Area | 42.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 291.12592 |
| Heavy Atoms | 22 |
| Complexity | 789.0623 |
Chemical Identifiers
| CAS Number | 879329-79-0 |
|---|---|
| SMILES | CC1=C(C=C(N1CC2=CC=CC=C2)C3=CC=CC=C3)C(=O)O |
Product Overview
1-benzyl-2-methyl-5-phenyl-1H-pyrrole-3-carboxylic acid (CAS 879329-79-0), with molecular formula C19H17NO2 and molecular weight 291.13 g/mol. IUPAC: 1-benzyl-2-methyl-5-phenylpyrrole-3-carboxylic acid.
Chemical Property Profile of 1-benzyl-2-methyl-5-phenyl-1H-pyrrole-3-carboxylic acid
Property Insights of 1-benzyl-2-methyl-5-phenyl-1H-pyrrole-3-carboxylic acid
The XLogP value of 4.21002 indicates that 1-benzyl-2-methyl-5-phenyl-1H-pyrrole-3-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.23 Ų, 1-benzyl-2-methyl-5-phenyl-1H-pyrrole-3-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-benzyl-2-methyl-5-phenyl-1H-pyrrole-3-carboxylic acid has 1 hydrogen bond donor(s) and 1 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 1-benzyl-2-methyl-5-phenyl-1H-pyrrole-3-carboxylic acid?
The CAS number of 1-benzyl-2-methyl-5-phenyl-1H-pyrrole-3-carboxylic acid is 879329-79-0.
What is the molecular formula of 1-benzyl-2-methyl-5-phenyl-1H-pyrrole-3-carboxylic acid?
The molecular formula of 1-benzyl-2-methyl-5-phenyl-1H-pyrrole-3-carboxylic acid is C19H17NO2.
What is the molecular weight of 1-benzyl-2-methyl-5-phenyl-1H-pyrrole-3-carboxylic acid?
The molecular weight of 1-benzyl-2-methyl-5-phenyl-1H-pyrrole-3-carboxylic acid is 291.13 g/mol.
Where can I buy 1-benzyl-2-methyl-5-phenyl-1H-pyrrole-3-carboxylic acid?
You can request a quote for 1-benzyl-2-methyl-5-phenyl-1H-pyrrole-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-benzyl-2-methyl-5-phenyl-1H-pyrrole-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-benzyl-2-methyl-5-phenyl-1H-pyrrole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.