4-(2,5-dimethylpyrrol-1-yl)phthalic Acid
TL;DR: 4-(2,5-dimethylpyrrol-1-yl)phthalic Acid (CAS 313701-80-3) is a chemical compound with molecular formula C14H13NO4 and molecular weight 259.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,5-dimethylpyrrol-1-yl)phthalic acid
Also Known As: 4-(2,5-dimethylpyrrol-1-yl)phthalic Acid, 4-(2,5-dimethyl-1H-pyrrol-1-yl)benzene-1,2-dicarboxylic acid, 4-(2,5-dimethyl-1H-pyrrol-1-yl)phthalic acid, 4-(2,5-dimethylpyrrolyl)benzene-1,2-dicarboxylic acid, 4-(2,5-Dimethyl-1H-pyrrol-1-yl)-1,2-benzenedicarboxylic acid
| Molecular Formula | C14H13NO4 |
|---|---|
| Molecular Weight | 259.08 g/mol |
| LogP | 2.49054 |
| Topological Polar Surface Area | 79.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 259.08447 |
| Heavy Atoms | 19 |
| Complexity | 650.5806 |
Chemical Identifiers
| CAS Number | 313701-80-3 |
|---|---|
| SMILES | CC1=CC=C(N1C2=CC(=C(C=C2)C(=O)O)C(=O)O)C |
Product Overview
4-(2,5-dimethylpyrrol-1-yl)phthalic Acid (CAS 313701-80-3), with molecular formula C14H13NO4 and molecular weight 259.08 g/mol. IUPAC: 4-(2,5-dimethylpyrrol-1-yl)phthalic acid.
Chemical Property Profile of 4-(2,5-dimethylpyrrol-1-yl)phthalic Acid
Property Insights of 4-(2,5-dimethylpyrrol-1-yl)phthalic Acid
The XLogP value of 2.49054 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2,5-dimethylpyrrol-1-yl)phthalic Acid. The TPSA of 79.53 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2,5-dimethylpyrrol-1-yl)phthalic Acid. Following Lipinski's Rule of Five, 4-(2,5-dimethylpyrrol-1-yl)phthalic Acid has 2 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 4-(2,5-dimethylpyrrol-1-yl)phthalic Acid?
The CAS number of 4-(2,5-dimethylpyrrol-1-yl)phthalic Acid is 313701-80-3.
What is the molecular formula of 4-(2,5-dimethylpyrrol-1-yl)phthalic Acid?
The molecular formula of 4-(2,5-dimethylpyrrol-1-yl)phthalic Acid is C14H13NO4.
What is the molecular weight of 4-(2,5-dimethylpyrrol-1-yl)phthalic Acid?
The molecular weight of 4-(2,5-dimethylpyrrol-1-yl)phthalic Acid is 259.08 g/mol.
Where can I buy 4-(2,5-dimethylpyrrol-1-yl)phthalic Acid?
You can request a quote for 4-(2,5-dimethylpyrrol-1-yl)phthalic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2,5-dimethylpyrrol-1-yl)phthalic Acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,5-dimethylpyrrol-1-yl)phthalic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.