![2-[3-(4-Pentylphenyl)prop-2-enoylamino]benzoic acid structure](/static/images/no-structure.svg)
2-[3-(4-Pentylphenyl)prop-2-enoylamino]benzoic acid
TL;DR: 2-[3-(4-Pentylphenyl)prop-2-enoylamino]benzoic acid (CAS 110683-10-8) is a chemical compound with molecular formula C21H23NO3 and molecular weight 337.1678 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[3-(4-pentylphenyl)prop-2-enoylamino]benzoic acid
Also Known As: 4-Acaa, ACAA, n-(p-amylcinnamoyl) anthranilic acid, 4-Amylcinnamoylanthranilic acid, N-(p-Amylcinnamoyl)anthranilic acid
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C21H23NO3 |
| Molecular Weight | 337.1678 g/mol |
| XLogP | 6.4 |
| Topological Polar Surface Area (TPSA) | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 337.1678 Da |
| Heavy Atoms | 25 |
| Complexity | 452.0 |
| SMILES | CCCCCC1=CC=C(C=C1)C=CC(=O)NC2=CC=CC=C2C(=O)O |
| InChIKey | GAMRBCZMOOMBSQ-UHFFFAOYSA-N |
Product Description
Applications: 2-[3-(4-Pentylphenyl)prop-2-enoylamino]benzoic acid is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A pharmaceutical intermediate supplied by CoreyChem, 2-[3-(4-Pentylphenyl)prop-2-enoylamino]benzoic acid (CAS 110683-10-8) has the molecular formula C21H23NO3 and a molecular weight of 337.17 g/mol. Synonyms include 4-Acaa and ACAA.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 2-[3-(4-Pentylphenyl)prop-2-enoylamino]benzoic acid
Property Insights of 2-[3-(4-Pentylphenyl)prop-2-enoylamino]benzoic acid
The XLogP value of 6.4 indicates that 2-[3-(4-Pentylphenyl)prop-2-enoylamino]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[3-(4-Pentylphenyl)prop-2-enoylamino]benzoic acid. Following Lipinski's Rule of Five, 2-[3-(4-Pentylphenyl)prop-2-enoylamino]benzoic acid has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 2-[3-(4-Pentylphenyl)prop-2-enoylamino]benzoic acid?
The CAS number of 2-[3-(4-Pentylphenyl)prop-2-enoylamino]benzoic acid is 110683-10-8.
What is the molecular formula of 2-[3-(4-Pentylphenyl)prop-2-enoylamino]benzoic acid?
The molecular formula of 2-[3-(4-Pentylphenyl)prop-2-enoylamino]benzoic acid is C21H23NO3.
What is the molecular weight of 2-[3-(4-Pentylphenyl)prop-2-enoylamino]benzoic acid?
The molecular weight of 2-[3-(4-Pentylphenyl)prop-2-enoylamino]benzoic acid is 337.1678 g/mol.
What are the applications of 2-[3-(4-Pentylphenyl)prop-2-enoylamino]benzoic acid?
2-[3-(4-Pentylphenyl)prop-2-enoylamino]benzoic acid is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from...
Where can I buy 2-[3-(4-Pentylphenyl)prop-2-enoylamino]benzoic acid?
You can request a quote for 2-[3-(4-Pentylphenyl)prop-2-enoylamino]benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-[3-(4-Pentylphenyl)prop-2-enoylamino]benzoic acid?
Yes, CoreyChem provides custom synthesis services for 2-[3-(4-Pentylphenyl)prop-2-enoylamino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.