1-benzyl-4-formyl-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
TL;DR: 1-benzyl-4-formyl-2,5-dimethyl-1H-pyrrole-3-carboxylic acid (CAS 903152-37-4) is a chemical compound with molecular formula C15H15NO3 and molecular weight 257.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-4-formyl-2,5-dimethylpyrrole-3-carboxylic acid
Also Known As: 1-benzyl-4-formyl-2,5-dimethyl-1H-pyrrole-3-carboxylic acid, 1-benzyl-4-formyl-2,5-dimethylpyrrole-3-carboxylic acid, 1-benzyl-4-formyl-2,5-dimethyl-pyrrole-3-carboxylic Acid, 1H-pyrrole-3-carboxylic acid, 4-formyl-2,5-dimethyl-1-(phenylmethyl)-
| Molecular Formula | C15H15NO3 |
|---|---|
| Molecular Weight | 257.11 g/mol |
| LogP | 2.66394 |
| Topological Polar Surface Area | 59.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 257.1052 |
| Heavy Atoms | 19 |
| Complexity | 626.5854 |
Chemical Identifiers
| CAS Number | 903152-37-4 |
|---|---|
| SMILES | CC1=C(C(=C(N1CC2=CC=CC=C2)C)C(=O)O)C=O |
Product Overview
1-benzyl-4-formyl-2,5-dimethyl-1H-pyrrole-3-carboxylic acid (CAS 903152-37-4), with molecular formula C15H15NO3 and molecular weight 257.11 g/mol. IUPAC: 1-benzyl-4-formyl-2,5-dimethylpyrrole-3-carboxylic acid.
Chemical Property Profile of 1-benzyl-4-formyl-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
Property Insights of 1-benzyl-4-formyl-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
The XLogP value of 2.66394 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-benzyl-4-formyl-2,5-dimethyl-1H-pyrrole-3-carboxylic acid. With a topological polar surface area (TPSA) of 59.3 Ų, 1-benzyl-4-formyl-2,5-dimethyl-1H-pyrrole-3-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-benzyl-4-formyl-2,5-dimethyl-1H-pyrrole-3-carboxylic acid 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 1-benzyl-4-formyl-2,5-dimethyl-1H-pyrrole-3-carboxylic acid?
The CAS number of 1-benzyl-4-formyl-2,5-dimethyl-1H-pyrrole-3-carboxylic acid is 903152-37-4.
What is the molecular formula of 1-benzyl-4-formyl-2,5-dimethyl-1H-pyrrole-3-carboxylic acid?
The molecular formula of 1-benzyl-4-formyl-2,5-dimethyl-1H-pyrrole-3-carboxylic acid is C15H15NO3.
What is the molecular weight of 1-benzyl-4-formyl-2,5-dimethyl-1H-pyrrole-3-carboxylic acid?
The molecular weight of 1-benzyl-4-formyl-2,5-dimethyl-1H-pyrrole-3-carboxylic acid is 257.11 g/mol.
Where can I buy 1-benzyl-4-formyl-2,5-dimethyl-1H-pyrrole-3-carboxylic acid?
You can request a quote for 1-benzyl-4-formyl-2,5-dimethyl-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-4-formyl-2,5-dimethyl-1H-pyrrole-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-benzyl-4-formyl-2,5-dimethyl-1H-pyrrole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.