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5-[(4-Phenylbutanoyl)amino]benzene-1,3-dicarboxylic acid
TL;DR: 5-[(4-Phenylbutanoyl)amino]benzene-1,3-dicarboxylic acid (CAS 690983-69-8) is a chemical compound with molecular formula C18H17NO5 and molecular weight 327.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-phenylbutanoylamino)benzene-1,3-dicarboxylic acid
Also Known As: 5-(4-phenylbutanamido)isophthalic acid, 5-(4-phenylbutanoylamino)benzene-1,3-dicarboxylic Acid, 5-[(4-phenylbutanoyl)amino]benzene-1,3-dicarboxylic acid
| Molecular Formula | C18H17NO5 |
|---|---|
| Molecular Weight | 327.11 g/mol |
| LogP | 3.0444 |
| Topological Polar Surface Area | 103.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 327.1107 |
| Heavy Atoms | 24 |
| Complexity | 723.00934 |
Chemical Identifiers
| CAS Number | 690983-69-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCCC(=O)NC2=CC(=CC(=C2)C(=O)O)C(=O)O |
Product Overview
5-[(4-Phenylbutanoyl)amino]benzene-1,3-dicarboxylic acid (CAS 690983-69-8), with molecular formula C18H17NO5 and molecular weight 327.11 g/mol. IUPAC: 5-(4-phenylbutanoylamino)benzene-1,3-dicarboxylic acid.
Chemical Property Profile of 5-[(4-Phenylbutanoyl)amino]benzene-1,3-dicarboxylic acid
Property Insights of 5-[(4-Phenylbutanoyl)amino]benzene-1,3-dicarboxylic acid
The XLogP value of 3.0444 indicates that 5-[(4-Phenylbutanoyl)amino]benzene-1,3-dicarboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(4-Phenylbutanoyl)amino]benzene-1,3-dicarboxylic acid. Following Lipinski's Rule of Five, 5-[(4-Phenylbutanoyl)amino]benzene-1,3-dicarboxylic acid has 3 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 5-[(4-Phenylbutanoyl)amino]benzene-1,3-dicarboxylic acid?
The CAS number of 5-[(4-Phenylbutanoyl)amino]benzene-1,3-dicarboxylic acid is 690983-69-8.
What is the molecular formula of 5-[(4-Phenylbutanoyl)amino]benzene-1,3-dicarboxylic acid?
The molecular formula of 5-[(4-Phenylbutanoyl)amino]benzene-1,3-dicarboxylic acid is C18H17NO5.
What is the molecular weight of 5-[(4-Phenylbutanoyl)amino]benzene-1,3-dicarboxylic acid?
The molecular weight of 5-[(4-Phenylbutanoyl)amino]benzene-1,3-dicarboxylic acid is 327.11 g/mol.
Where can I buy 5-[(4-Phenylbutanoyl)amino]benzene-1,3-dicarboxylic acid?
You can request a quote for 5-[(4-Phenylbutanoyl)amino]benzene-1,3-dicarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[(4-Phenylbutanoyl)amino]benzene-1,3-dicarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-[(4-Phenylbutanoyl)amino]benzene-1,3-dicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.