5,7-Dimethyl-3-indoleacetic acid
TL;DR: 5,7-Dimethyl-3-indoleacetic acid (CAS 74038-94-1) is a chemical compound with molecular formula C12H13NO2 and molecular weight 203.09464 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(5,7-dimethyl-1H-indol-3-yl)acetic acid
Also Known As: 5,7-Dimethyl-3-indoleacetic acid, 3-INDOLEACETIC ACID, 5,7-DIMETHYL-, 1H-Indole-3-acetic acid, 5,7-dimethyl-, 3-Indoleacetic acid,7-dimethyl-, 1H-Indole-3-acetic acid,7-dimethyl-
Technical Specifications
| Molecular Formula | C12H13NO2 |
| Molecular Weight | 203.09464 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 53.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 203.09464 Da |
| Heavy Atoms | 15 |
| Complexity | 254.0 |
| SMILES | CC1=CC(=C2C(=C1)C(=CN2)CC(=O)O)C |
| InChIKey | XJCBMZMISBSKFP-UHFFFAOYSA-N |
Chemical Property Profile of 5,7-Dimethyl-3-indoleacetic acid
Property Insights of 5,7-Dimethyl-3-indoleacetic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,7-Dimethyl-3-indoleacetic acid. With a topological polar surface area (TPSA) of 53.1 Ų, 5,7-Dimethyl-3-indoleacetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,7-Dimethyl-3-indoleacetic 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
What is the CAS number of 5,7-Dimethyl-3-indoleacetic acid?
The CAS number of 5,7-Dimethyl-3-indoleacetic acid is 74038-94-1.
What is the molecular formula of 5,7-Dimethyl-3-indoleacetic acid?
The molecular formula of 5,7-Dimethyl-3-indoleacetic acid is C12H13NO2.
What is the molecular weight of 5,7-Dimethyl-3-indoleacetic acid?
The molecular weight of 5,7-Dimethyl-3-indoleacetic acid is 203.09464 g/mol.
Where can I buy 5,7-Dimethyl-3-indoleacetic acid?
You can request a quote for 5,7-Dimethyl-3-indoleacetic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5,7-Dimethyl-3-indoleacetic acid?
Yes, CoreyChem provides custom synthesis services for 5,7-Dimethyl-3-indoleacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.