2-(萘-1-基)丙酸
TL;DR: 2-(萘-1-基)丙酸 (CAS 3117-51-9) is a chemical compound with molecular formula C13H12O2 and molecular weight 200.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(萘-1-基)丙酸
2-naphthalen-1-ylpropanoic acid
Also Known As: 2-(naphthalen-1-yl)propanoic acid, a-Methyl-1-naphthaleneacetic acid, 2-(1-naphthyl)propionic acid, alpha-Methyl-1-naphthaleneacetic acid, naphthylpropionic acid
| Molecular Formula | C13H12O2 |
|---|---|
| Molecular Weight | 200.08 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 200.08372 |
| Heavy Atoms | 15 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 3117-51-9 |
|---|---|
| SMILES | CC(C1=CC=CC2=CC=CC=C21)C(=O)O |
| InChIKey | VKCNNDPZFOVURD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(萘-1-基)丙酸 (CAS 3117-51-9), with molecular formula C13H12O2 and molecular weight 200.08 g/mol. IUPAC: 2-naphthalen-1-ylpropanoic acid.
Chemical Property Profile of 2-(萘-1-基)丙酸
Property Insights of 2-(萘-1-基)丙酸
The XLogP value of 3.2 indicates that 2-(萘-1-基)丙酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 2-(萘-1-基)丙酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(萘-1-基)丙酸 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
Frequently Asked Questions
What is the CAS number of 2-(萘-1-基)丙酸?
The CAS number of 2-(萘-1-基)丙酸 is 3117-51-9.
What is the molecular formula of 2-(萘-1-基)丙酸?
The molecular formula of 2-(萘-1-基)丙酸 is C13H12O2.
What is the molecular weight of 2-(萘-1-基)丙酸?
The molecular weight of 2-(萘-1-基)丙酸 is 200.08 g/mol.
Where can I buy 2-(萘-1-基)丙酸?
You can request a quote for 2-(萘-1-基)丙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(萘-1-基)丙酸?
Yes, KEHONG BIO provides custom synthesis services for 2-(萘-1-基)丙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.