2-(3,4-Dihydronaphthalen-1-yl)acetic acid
TL;DR: 2-(3,4-Dihydronaphthalen-1-yl)acetic acid (CAS 4709-55-1) is a chemical compound with molecular formula C12H12O2 and molecular weight 188.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4-dihydronaphthalen-1-yl)acetic acid
Also Known As: 2-(3,4-Dihydronaphthalen-1-yl)acetic acid, 1-Naphthaleneacetic acid, 3,4-dihydro-, 3,4-Dihydro-1-naphthaleneacetic acid, 3,4-dihydronaphthalen-1-ylacetic acid, 3,4-Dihydronaphthalene-1-acetic acid
| Molecular Formula | C12H12O2 |
|---|---|
| Molecular Weight | 188.08 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 188.08372 |
| Heavy Atoms | 14 |
| Complexity | 255.0 |
Chemical Identifiers
| CAS Number | 4709-55-1 |
|---|---|
| SMILES | C1CC2=CC=CC=C2C(=C1)CC(=O)O |
| InChIKey | RMQYHQKFDKVGCX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(3,4-Dihydronaphthalen-1-yl)acetic acid (CAS 4709-55-1), with molecular formula C12H12O2 and molecular weight 188.08 g/mol. IUPAC: 2-(3,4-dihydronaphthalen-1-yl)acetic acid.
Chemical Property Profile of 2-(3,4-Dihydronaphthalen-1-yl)acetic acid
Property Insights of 2-(3,4-Dihydronaphthalen-1-yl)acetic acid
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3,4-Dihydronaphthalen-1-yl)acetic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 2-(3,4-Dihydronaphthalen-1-yl)acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3,4-Dihydronaphthalen-1-yl)acetic 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-(3,4-Dihydronaphthalen-1-yl)acetic acid?
The CAS number of 2-(3,4-Dihydronaphthalen-1-yl)acetic acid is 4709-55-1.
What is the molecular formula of 2-(3,4-Dihydronaphthalen-1-yl)acetic acid?
The molecular formula of 2-(3,4-Dihydronaphthalen-1-yl)acetic acid is C12H12O2.
What is the molecular weight of 2-(3,4-Dihydronaphthalen-1-yl)acetic acid?
The molecular weight of 2-(3,4-Dihydronaphthalen-1-yl)acetic acid is 188.08 g/mol.
Where can I buy 2-(3,4-Dihydronaphthalen-1-yl)acetic acid?
You can request a quote for 2-(3,4-Dihydronaphthalen-1-yl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3,4-Dihydronaphthalen-1-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,4-Dihydronaphthalen-1-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.