(2,4,7-trimethyl-1H-indol-3-yl)acetic acid
TL;DR: (2,4,7-trimethyl-1H-indol-3-yl)acetic acid (CAS 6296-47-5) is a chemical compound with molecular formula C13H15NO2 and molecular weight 217.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,4,7-trimethyl-1H-indol-3-yl)acetic acid
Also Known As: (2,4,7-trimethyl-1H-indol-3-yl)acetic acid, 2-(2,4,7-trimethyl-1H-indol-3-yl)acetic acid, NCIStruc1_000377, NCIStruc2_000417, 5305AE
| Molecular Formula | C13H15NO2 |
|---|---|
| Molecular Weight | 217.11 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 53.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 217.11028 |
| Heavy Atoms | 16 |
| Complexity | 279.0 |
Chemical Identifiers
| CAS Number | 6296-47-5 |
|---|---|
| SMILES | CC1=C2C(=C(NC2=C(C=C1)C)C)CC(=O)O |
| InChIKey | FOYXJMABOXFXKS-UHFFFAOYSA-N |
Product Overview
(2,4,7-trimethyl-1H-indol-3-yl)acetic acid (CAS 6296-47-5), with molecular formula C13H15NO2 and molecular weight 217.11 g/mol. IUPAC: 2-(2,4,7-trimethyl-1H-indol-3-yl)acetic acid.
Chemical Property Profile of (2,4,7-trimethyl-1H-indol-3-yl)acetic acid
Property Insights of (2,4,7-trimethyl-1H-indol-3-yl)acetic acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2,4,7-trimethyl-1H-indol-3-yl)acetic acid. With a topological polar surface area (TPSA) of 53.1 Ų, (2,4,7-trimethyl-1H-indol-3-yl)acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2,4,7-trimethyl-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 (2,4,7-trimethyl-1H-indol-3-yl)acetic acid?
The CAS number of (2,4,7-trimethyl-1H-indol-3-yl)acetic acid is 6296-47-5.
What is the molecular formula of (2,4,7-trimethyl-1H-indol-3-yl)acetic acid?
The molecular formula of (2,4,7-trimethyl-1H-indol-3-yl)acetic acid is C13H15NO2.
What is the molecular weight of (2,4,7-trimethyl-1H-indol-3-yl)acetic acid?
The molecular weight of (2,4,7-trimethyl-1H-indol-3-yl)acetic acid is 217.11 g/mol.
Where can I buy (2,4,7-trimethyl-1H-indol-3-yl)acetic acid?
You can request a quote for (2,4,7-trimethyl-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 (2,4,7-trimethyl-1H-indol-3-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (2,4,7-trimethyl-1H-indol-3-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.