5-Tert-butyl-2-methyl-1-phenylpyrrole-3-carboxylic acid
TL;DR: 5-Tert-butyl-2-methyl-1-phenylpyrrole-3-carboxylic acid (CAS 306936-16-3) is a chemical compound with molecular formula C16H19NO2 and molecular weight 257.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-tert-butyl-2-methyl-1-phenylpyrrole-3-carboxylic acid
Also Known As: Maybridge3_006698, 5-tert-butyl-2-methyl-1-phenylpyrrole-3-carboxylic acid, IDI1_018085, 5- -2-methyl-1-phenyl-1H-pyrrole-3-carboxylicacid, 5-(tert-butyl)-2-methyl-1-phenyl-1H-pyrrole-3-carboxylic acid
| Molecular Formula | C16H19NO2 |
|---|---|
| Molecular Weight | 257.14 g/mol |
| LogP | 3.78142 |
| Topological Polar Surface Area | 42.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 257.14157 |
| Heavy Atoms | 19 |
| Complexity | 603.66943 |
Chemical Identifiers
| CAS Number | 306936-16-3 |
|---|---|
| SMILES | CC1=C(C=C(N1C2=CC=CC=C2)C(C)(C)C)C(=O)O |
Product Overview
5-Tert-butyl-2-methyl-1-phenylpyrrole-3-carboxylic acid (CAS 306936-16-3), with molecular formula C16H19NO2 and molecular weight 257.14 g/mol. IUPAC: 5-tert-butyl-2-methyl-1-phenylpyrrole-3-carboxylic acid.
Chemical Property Profile of 5-Tert-butyl-2-methyl-1-phenylpyrrole-3-carboxylic acid
Property Insights of 5-Tert-butyl-2-methyl-1-phenylpyrrole-3-carboxylic acid
The XLogP value of 3.78142 indicates that 5-Tert-butyl-2-methyl-1-phenylpyrrole-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, 5-Tert-butyl-2-methyl-1-phenylpyrrole-3-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Tert-butyl-2-methyl-1-phenylpyrrole-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 5-Tert-butyl-2-methyl-1-phenylpyrrole-3-carboxylic acid?
The CAS number of 5-Tert-butyl-2-methyl-1-phenylpyrrole-3-carboxylic acid is 306936-16-3.
What is the molecular formula of 5-Tert-butyl-2-methyl-1-phenylpyrrole-3-carboxylic acid?
The molecular formula of 5-Tert-butyl-2-methyl-1-phenylpyrrole-3-carboxylic acid is C16H19NO2.
What is the molecular weight of 5-Tert-butyl-2-methyl-1-phenylpyrrole-3-carboxylic acid?
The molecular weight of 5-Tert-butyl-2-methyl-1-phenylpyrrole-3-carboxylic acid is 257.14 g/mol.
Where can I buy 5-Tert-butyl-2-methyl-1-phenylpyrrole-3-carboxylic acid?
You can request a quote for 5-Tert-butyl-2-methyl-1-phenylpyrrole-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 5-Tert-butyl-2-methyl-1-phenylpyrrole-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Tert-butyl-2-methyl-1-phenylpyrrole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.