(5-Methoxy-1h-inden-3-yl)acetic acid
TL;DR: (5-Methoxy-1h-inden-3-yl)acetic acid (CAS 21779-36-2) is a chemical compound with molecular formula C12H12O3 and molecular weight 204.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6-methoxy-3H-inden-1-yl)acetic acid
Also Known As: 5-methoxyinden-3-ylacetic acid, (5-methoxy-1h-inden-3-yl)acetic acid, 5-methoxy-1H-indene-3-acetic acid, 2-(6-methoxy-3H-inden-1-yl)acetic acid
| Molecular Formula | C12H12O3 |
|---|---|
| Molecular Weight | 204.08 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 204.07864 |
| Heavy Atoms | 15 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 21779-36-2 |
|---|---|
| SMILES | COC1=CC2=C(CC=C2CC(=O)O)C=C1 |
| InChIKey | LIOOAUQOIAMGLT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(5-Methoxy-1h-inden-3-yl)acetic acid (CAS 21779-36-2), with molecular formula C12H12O3 and molecular weight 204.08 g/mol. IUPAC: 2-(6-methoxy-3H-inden-1-yl)acetic acid.
Chemical Property Profile of (5-Methoxy-1h-inden-3-yl)acetic acid
Property Insights of (5-Methoxy-1h-inden-3-yl)acetic acid
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5-Methoxy-1h-inden-3-yl)acetic acid. With a topological polar surface area (TPSA) of 46.5 Ų, (5-Methoxy-1h-inden-3-yl)acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (5-Methoxy-1h-inden-3-yl)acetic acid has 1 hydrogen bond donor(s) and 3 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 (5-Methoxy-1h-inden-3-yl)acetic acid?
The CAS number of (5-Methoxy-1h-inden-3-yl)acetic acid is 21779-36-2.
What is the molecular formula of (5-Methoxy-1h-inden-3-yl)acetic acid?
The molecular formula of (5-Methoxy-1h-inden-3-yl)acetic acid is C12H12O3.
What is the molecular weight of (5-Methoxy-1h-inden-3-yl)acetic acid?
The molecular weight of (5-Methoxy-1h-inden-3-yl)acetic acid is 204.08 g/mol.
Where can I buy (5-Methoxy-1h-inden-3-yl)acetic acid?
You can request a quote for (5-Methoxy-1h-inden-3-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 (5-Methoxy-1h-inden-3-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (5-Methoxy-1h-inden-3-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.