1-Naphthalenepropanoic acid
TL;DR: 1-Naphthalenepropanoic acid (CAS 32664-28-1) is a chemical compound with molecular formula C27H19N3O3 and molecular weight 433.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzoyl-1-[2-(1,3-dioxoisoindol-2-yl)ethyl]isoquinoline-1-carbonitrile
Also Known As: 1-Naphthalenepropanoic acid, 2-benzoyl-1-[2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)ethyl]-1,2-dihydroisoquinoline-1-carbonitrile, 2-benzoyl-1-[2-(1,3-dioxoisoindol-2-yl)ethyl]isoquinoline-1-carbonitrile, 2-benzoyl-1-[2-(1,3-dioxoisoindol-2-yl)ethyl]isoquinoline-1-
| Molecular Formula | C27H19N3O3 |
|---|---|
| Molecular Weight | 433.14 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 81.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 433.14264 |
| Heavy Atoms | 33 |
| Complexity | 858.0 |
Chemical Identifiers
| CAS Number | 32664-28-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)N2C=CC3=CC=CC=C3C2(CCN4C(=O)C5=CC=CC=C5C4=O)C#N |
| InChIKey | WJFHSDDRTNOKLR-UHFFFAOYSA-N |
Product Overview
1-Naphthalenepropanoic acid (CAS 32664-28-1), with molecular formula C27H19N3O3 and molecular weight 433.14 g/mol. IUPAC: 2-benzoyl-1-[2-(1,3-dioxoisoindol-2-yl)ethyl]isoquinoline-1-carbonitrile.
Chemical Property Profile of 1-Naphthalenepropanoic acid
Property Insights of 1-Naphthalenepropanoic acid
The XLogP value of 3.9 indicates that 1-Naphthalenepropanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Naphthalenepropanoic acid. Following Lipinski's Rule of Five, 1-Naphthalenepropanoic acid has 0 hydrogen bond donor(s) and 4 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-Naphthalenepropanoic acid?
The CAS number of 1-Naphthalenepropanoic acid is 32664-28-1.
What is the molecular formula of 1-Naphthalenepropanoic acid?
The molecular formula of 1-Naphthalenepropanoic acid is C27H19N3O3.
What is the molecular weight of 1-Naphthalenepropanoic acid?
The molecular weight of 1-Naphthalenepropanoic acid is 433.14 g/mol.
Where can I buy 1-Naphthalenepropanoic acid?
You can request a quote for 1-Naphthalenepropanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Naphthalenepropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-Naphthalenepropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.