Benzoic acid, o-(2-methyl-5-phenylpyrrol-1-yl)-
TL;DR: Benzoic acid, o-(2-methyl-5-phenylpyrrol-1-yl)- (CAS 31510-56-2) is a chemical compound with molecular formula C18H15NO2 and molecular weight 277.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-methyl-5-phenylpyrrol-1-yl)benzoic acid
Also Known As: 2-(2-methyl-5-phenyl-1H-pyrrol-1-yl)benzoic acid, Benzoic acid, o-(2-methyl-5-phenylpyrrol-1-yl)-, o-(2-Methyl-5-phenylpyrrol-1-yl)benzoic acid, 2-(2-methyl-5-phenylpyrrol-1-yl)benzoic acid, 3-(3-amino-4-bromophenyl)propanoic acid
| Molecular Formula | C18H15NO2 |
|---|---|
| Molecular Weight | 277.11 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 42.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 277.1103 |
| Heavy Atoms | 21 |
| Complexity | 364.0 |
Chemical Identifiers
| CAS Number | 31510-56-2 |
|---|---|
| SMILES | CC1=CC=C(N1C2=CC=CC=C2C(=O)O)C3=CC=CC=C3 |
| InChIKey | HDBAHTOZGLYRSE-UHFFFAOYSA-N |
Product Overview
Benzoic acid, o-(2-methyl-5-phenylpyrrol-1-yl)- (CAS 31510-56-2), with molecular formula C18H15NO2 and molecular weight 277.11 g/mol. IUPAC: 2-(2-methyl-5-phenylpyrrol-1-yl)benzoic acid.
Chemical Property Profile of Benzoic acid, o-(2-methyl-5-phenylpyrrol-1-yl)-
Property Insights of Benzoic acid, o-(2-methyl-5-phenylpyrrol-1-yl)-
The XLogP value of 3.9 indicates that Benzoic acid, o-(2-methyl-5-phenylpyrrol-1-yl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.2 Ų, Benzoic acid, o-(2-methyl-5-phenylpyrrol-1-yl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, o-(2-methyl-5-phenylpyrrol-1-yl)- has 1 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 Benzoic acid, o-(2-methyl-5-phenylpyrrol-1-yl)-?
The CAS number of Benzoic acid, o-(2-methyl-5-phenylpyrrol-1-yl)- is 31510-56-2.
What is the molecular formula of Benzoic acid, o-(2-methyl-5-phenylpyrrol-1-yl)-?
The molecular formula of Benzoic acid, o-(2-methyl-5-phenylpyrrol-1-yl)- is C18H15NO2.
What is the molecular weight of Benzoic acid, o-(2-methyl-5-phenylpyrrol-1-yl)-?
The molecular weight of Benzoic acid, o-(2-methyl-5-phenylpyrrol-1-yl)- is 277.11 g/mol.
Where can I buy Benzoic acid, o-(2-methyl-5-phenylpyrrol-1-yl)-?
You can request a quote for Benzoic acid, o-(2-methyl-5-phenylpyrrol-1-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, o-(2-methyl-5-phenylpyrrol-1-yl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, o-(2-methyl-5-phenylpyrrol-1-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.