2-Naphthaleneacetic acid
TL;DR: 2-Naphthaleneacetic acid (CAS 581-96-4) is a chemical compound with molecular formula C12H10O2 and molecular weight 186.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-naphthalen-2-ylacetic acid
Also Known As: 2-Naphthylacetic acid, 2-NAPHTHALENEACETIC ACID, 2-(Naphthalen-2-Yl)Acetic Acid, Betoxan, 2-(2-Naphthyl)acetic acid
| Molecular Formula | C12H10O2 |
|---|---|
| Molecular Weight | 186.07 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 186.06808 |
| Heavy Atoms | 14 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 581-96-4 |
|---|---|
| SMILES | C1=CC=C2C=C(C=CC2=C1)CC(=O)O |
| InChIKey | VIBOGIYPPWLDTI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Naphthaleneacetic acid (CAS 581-96-4), with molecular formula C12H10O2 and molecular weight 186.07 g/mol. IUPAC: 2-naphthalen-2-ylacetic acid.
Chemical Property Profile of 2-Naphthaleneacetic acid
Property Insights of 2-Naphthaleneacetic acid
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Naphthaleneacetic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 2-Naphthaleneacetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Naphthaleneacetic 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
Frequently Asked Questions
What is the CAS number of 2-Naphthaleneacetic acid?
The CAS number of 2-Naphthaleneacetic acid is 581-96-4.
What is the molecular formula of 2-Naphthaleneacetic acid?
The molecular formula of 2-Naphthaleneacetic acid is C12H10O2.
What is the molecular weight of 2-Naphthaleneacetic acid?
The molecular weight of 2-Naphthaleneacetic acid is 186.07 g/mol.
Where can I buy 2-Naphthaleneacetic acid?
You can request a quote for 2-Naphthaleneacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Naphthaleneacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Naphthaleneacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.