1-(furan-2-ylmethyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
TL;DR: 1-(furan-2-ylmethyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid (CAS 1217636-85-5) is a chemical compound with molecular formula C12H13NO3 and molecular weight 219.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylic acid
Also Known As: 1-(2-furylmethyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid, 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylic acid, 1-(furan-2-ylmethyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid, 1-[(furan-2-yl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid, 1-(2-furylmethyl)-2,5-dimethyl-pyrrole-3-carboxylic Acid
| Molecular Formula | C12H13NO3 |
|---|---|
| Molecular Weight | 219.09 g/mol |
| LogP | 2.44444 |
| Topological Polar Surface Area | 55.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 219.08954 |
| Heavy Atoms | 16 |
| Complexity | 508.6063 |
Chemical Identifiers
| CAS Number | 1217636-85-5 |
|---|---|
| SMILES | CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)O |
Product Overview
1-(furan-2-ylmethyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid (CAS 1217636-85-5), with molecular formula C12H13NO3 and molecular weight 219.09 g/mol. IUPAC: 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylic acid.
Chemical Property Profile of 1-(furan-2-ylmethyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
Property Insights of 1-(furan-2-ylmethyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
The XLogP value of 2.44444 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(furan-2-ylmethyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid. With a topological polar surface area (TPSA) of 55.37 Ų, 1-(furan-2-ylmethyl)-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-(furan-2-ylmethyl)-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-(furan-2-ylmethyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid?
The CAS number of 1-(furan-2-ylmethyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid is 1217636-85-5.
What is the molecular formula of 1-(furan-2-ylmethyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid?
The molecular formula of 1-(furan-2-ylmethyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid is C12H13NO3.
What is the molecular weight of 1-(furan-2-ylmethyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid?
The molecular weight of 1-(furan-2-ylmethyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid is 219.09 g/mol.
Where can I buy 1-(furan-2-ylmethyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid?
You can request a quote for 1-(furan-2-ylmethyl)-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-(furan-2-ylmethyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-(furan-2-ylmethyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.