(2,7-Dimethyl-1H-indol-3-yl)-acetic acid
TL;DR: (2,7-Dimethyl-1H-indol-3-yl)-acetic acid (CAS 6296-46-4) is a chemical compound with molecular formula C12H13NO2 and molecular weight 203.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,7-dimethyl-1H-indol-3-yl)acetic acid
Also Known As: (2,7-Dimethyl-1H-indol-3-yl)-acetic acid, 2-(2,7-dimethyl-1H-indol-3-yl)acetic acid, 1h-indole-3-acetic acid, 2,7-dimethyl-, 1H-Indole-3-aceticacid, 2,7-dimethyl-, (2,7-dimethyl-1H-indol-3-yl)acetic acid
| Molecular Formula | C12H13NO2 |
|---|---|
| Molecular Weight | 203.09 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 53.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 203.09464 |
| Heavy Atoms | 15 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 6296-46-4 |
|---|---|
| SMILES | CC1=C2C(=CC=C1)C(=C(N2)C)CC(=O)O |
| InChIKey | JLNVPHNEFPHGPD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2,7-Dimethyl-1H-indol-3-yl)-acetic acid (CAS 6296-46-4), with molecular formula C12H13NO2 and molecular weight 203.09 g/mol. IUPAC: 2-(2,7-dimethyl-1H-indol-3-yl)acetic acid.
Chemical Property Profile of (2,7-Dimethyl-1H-indol-3-yl)-acetic acid
Property Insights of (2,7-Dimethyl-1H-indol-3-yl)-acetic acid
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2,7-Dimethyl-1H-indol-3-yl)-acetic acid. With a topological polar surface area (TPSA) of 53.1 Ų, (2,7-Dimethyl-1H-indol-3-yl)-acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2,7-Dimethyl-1H-indol-3-yl)-acetic acid has 2 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 (2,7-Dimethyl-1H-indol-3-yl)-acetic acid?
The CAS number of (2,7-Dimethyl-1H-indol-3-yl)-acetic acid is 6296-46-4.
What is the molecular formula of (2,7-Dimethyl-1H-indol-3-yl)-acetic acid?
The molecular formula of (2,7-Dimethyl-1H-indol-3-yl)-acetic acid is C12H13NO2.
What is the molecular weight of (2,7-Dimethyl-1H-indol-3-yl)-acetic acid?
The molecular weight of (2,7-Dimethyl-1H-indol-3-yl)-acetic acid is 203.09 g/mol.
Where can I buy (2,7-Dimethyl-1H-indol-3-yl)-acetic acid?
You can request a quote for (2,7-Dimethyl-1H-indol-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 (2,7-Dimethyl-1H-indol-3-yl)-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (2,7-Dimethyl-1H-indol-3-yl)-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.