2-(2,3-dimethyl-1H-indol-5-yl)acetic acid
TL;DR: 2-(2,3-dimethyl-1H-indol-5-yl)acetic acid (CAS 100068-17-5) 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-(2,3-dimethyl-1H-indol-5-yl)acetic acid
Also Known As: 2-(2,3-dimethyl-1H-indol-5-yl)acetic acid, (2,3-dimethyl-1H-indol-5-yl)acetic acid, 2,3-dimethyl-1H-indole-5-acetic acid, 2-(2,3-dimethylindol-5-yl)acetic acid, (2,3-dimethyl-1H-indol-5-yl)aceticacid
| Molecular Formula | C12H13NO2 |
|---|---|
| Molecular Weight | 203.09 g/mol |
| LogP | 2.41184 |
| Topological Polar Surface Area | 53.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 203.09464 |
| Heavy Atoms | 15 |
| Complexity | 525.6468 |
Chemical Identifiers
| CAS Number | 100068-17-5 |
|---|---|
| SMILES | CC1=C(NC2=C1C=C(C=C2)CC(=O)O)C |
Product Overview
2-(2,3-dimethyl-1H-indol-5-yl)acetic acid (CAS 100068-17-5), with molecular formula C12H13NO2 and molecular weight 203.09 g/mol. IUPAC: 2-(2,3-dimethyl-1H-indol-5-yl)acetic acid.
Chemical Property Profile of 2-(2,3-dimethyl-1H-indol-5-yl)acetic acid
Property Insights of 2-(2,3-dimethyl-1H-indol-5-yl)acetic acid
The XLogP value of 2.41184 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2,3-dimethyl-1H-indol-5-yl)acetic acid. With a topological polar surface area (TPSA) of 53.09 Ų, 2-(2,3-dimethyl-1H-indol-5-yl)acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2,3-dimethyl-1H-indol-5-yl)acetic acid has 2 hydrogen bond donor(s) and 1 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-(2,3-dimethyl-1H-indol-5-yl)acetic acid?
The CAS number of 2-(2,3-dimethyl-1H-indol-5-yl)acetic acid is 100068-17-5.
What is the molecular formula of 2-(2,3-dimethyl-1H-indol-5-yl)acetic acid?
The molecular formula of 2-(2,3-dimethyl-1H-indol-5-yl)acetic acid is C12H13NO2.
What is the molecular weight of 2-(2,3-dimethyl-1H-indol-5-yl)acetic acid?
The molecular weight of 2-(2,3-dimethyl-1H-indol-5-yl)acetic acid is 203.09 g/mol.
Where can I buy 2-(2,3-dimethyl-1H-indol-5-yl)acetic acid?
You can request a quote for 2-(2,3-dimethyl-1H-indol-5-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-(2,3-dimethyl-1H-indol-5-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,3-dimethyl-1H-indol-5-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.