3-(1-Naphthalenyl)-2-propenoic acid
TL;DR: 3-(1-Naphthalenyl)-2-propenoic acid (CAS 13026-12-5) is a chemical compound with molecular formula C13H10O2 and molecular weight 198.06808 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-naphthalen-1-ylprop-2-enoic acid
Also Known As: 3-(1-Naphthyl)acrylic acid, 3-(Naphthalen-1-yl)acrylic acid, 1-Naphthylacrylic acid, 1-Naphthylacrylicacid, 1-Naphthaleneacrylic acid
Application Areas
Top 5 of 16 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H10O2 |
| Molecular Weight | 198.06808 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 198.06808 Da |
| Heavy Atoms | 15 |
| Complexity | 257.0 |
| SMILES | C1=CC=C2C(=C1)C=CC=C2C=CC(=O)O |
| InChIKey | WPXMLUUYWNHQOR-UHFFFAOYSA-N |
Chemical Property Profile of 3-(1-Naphthalenyl)-2-propenoic acid
Property Insights of 3-(1-Naphthalenyl)-2-propenoic acid
The XLogP value of 3.1 indicates that 3-(1-Naphthalenyl)-2-propenoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 3-(1-Naphthalenyl)-2-propenoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1-Naphthalenyl)-2-propenoic acid has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(1-Naphthalenyl)-2-propenoic acid?
The CAS number of 3-(1-Naphthalenyl)-2-propenoic acid is 13026-12-5.
What is the molecular formula of 3-(1-Naphthalenyl)-2-propenoic acid?
The molecular formula of 3-(1-Naphthalenyl)-2-propenoic acid is C13H10O2.
What is the molecular weight of 3-(1-Naphthalenyl)-2-propenoic acid?
The molecular weight of 3-(1-Naphthalenyl)-2-propenoic acid is 198.06808 g/mol.
Where can I buy 3-(1-Naphthalenyl)-2-propenoic acid?
You can request a quote for 3-(1-Naphthalenyl)-2-propenoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(1-Naphthalenyl)-2-propenoic acid?
Yes, CoreyChem provides custom synthesis services for 3-(1-Naphthalenyl)-2-propenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.