4-cyano-2-methyl-5-(1H-pyrrol-1-yl)furan-3-carboxylic acid
TL;DR: 4-cyano-2-methyl-5-(1H-pyrrol-1-yl)furan-3-carboxylic acid (CAS 851116-60-4) is a chemical compound with molecular formula C11H8N2O3 and molecular weight 216.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxylic acid
Also Known As: 4-cyano-2-methyl-5-(1H-pyrrol-1-yl)furan-3-carboxylic acid, 4-cyano-2-methyl-5-(1H-pyrrol-1-yl)-3-furoic acid, 4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxylic acid, 4-cyano-2-methyl-5-pyrrol-1-yl-furan-3-carboxylic Acid, 4-cyano-2-methyl-5-(pyrrol-1-yl)furan-3-carboxylic acid
| Molecular Formula | C11H8N2O3 |
|---|---|
| Molecular Weight | 216.05 g/mol |
| LogP | 1.9486 |
| Topological Polar Surface Area | 79.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.0535 |
| Heavy Atoms | 16 |
| Complexity | 573.1368 |
Chemical Identifiers
| CAS Number | 851116-60-4 |
|---|---|
| SMILES | CC1=C(C(=C(O1)N2C=CC=C2)C#N)C(=O)O |
Product Overview
4-cyano-2-methyl-5-(1H-pyrrol-1-yl)furan-3-carboxylic acid (CAS 851116-60-4), with molecular formula C11H8N2O3 and molecular weight 216.05 g/mol. IUPAC: 4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxylic acid.
Chemical Property Profile of 4-cyano-2-methyl-5-(1H-pyrrol-1-yl)furan-3-carboxylic acid
Property Insights of 4-cyano-2-methyl-5-(1H-pyrrol-1-yl)furan-3-carboxylic acid
The XLogP value of 1.9486 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-cyano-2-methyl-5-(1H-pyrrol-1-yl)furan-3-carboxylic acid. The TPSA of 79.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-cyano-2-methyl-5-(1H-pyrrol-1-yl)furan-3-carboxylic acid. Following Lipinski's Rule of Five, 4-cyano-2-methyl-5-(1H-pyrrol-1-yl)furan-3-carboxylic acid has 1 hydrogen bond donor(s) and 3 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 4-cyano-2-methyl-5-(1H-pyrrol-1-yl)furan-3-carboxylic acid?
The CAS number of 4-cyano-2-methyl-5-(1H-pyrrol-1-yl)furan-3-carboxylic acid is 851116-60-4.
What is the molecular formula of 4-cyano-2-methyl-5-(1H-pyrrol-1-yl)furan-3-carboxylic acid?
The molecular formula of 4-cyano-2-methyl-5-(1H-pyrrol-1-yl)furan-3-carboxylic acid is C11H8N2O3.
What is the molecular weight of 4-cyano-2-methyl-5-(1H-pyrrol-1-yl)furan-3-carboxylic acid?
The molecular weight of 4-cyano-2-methyl-5-(1H-pyrrol-1-yl)furan-3-carboxylic acid is 216.05 g/mol.
Where can I buy 4-cyano-2-methyl-5-(1H-pyrrol-1-yl)furan-3-carboxylic acid?
You can request a quote for 4-cyano-2-methyl-5-(1H-pyrrol-1-yl)furan-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 4-cyano-2-methyl-5-(1H-pyrrol-1-yl)furan-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-cyano-2-methyl-5-(1H-pyrrol-1-yl)furan-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.