3-(3-methyl-1H-indol-1-yl)propanoic acid
TL;DR: 3-(3-methyl-1H-indol-1-yl)propanoic acid (CAS 5813-57-0) 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.
3-(3-methylindol-1-yl)propanoic acid
Also Known As: 3-(3-methyl-1H-indol-1-yl)propanoic acid, 3-(3-methylindol-1-yl)propanoic acid, Maybridge1_007392, RARECHEM AL BO 0518, 3-(3-methylindolyl)propanoic acid
| Molecular Formula | C12H13NO2 |
|---|---|
| Molecular Weight | 203.09 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 42.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 203.09464 |
| Heavy Atoms | 15 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 5813-57-0 |
|---|---|
| SMILES | CC1=CN(C2=CC=CC=C12)CCC(=O)O |
| InChIKey | YJMBLVFDTDJZFE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(3-methyl-1H-indol-1-yl)propanoic acid (CAS 5813-57-0), with molecular formula C12H13NO2 and molecular weight 203.09 g/mol. IUPAC: 3-(3-methylindol-1-yl)propanoic acid.
Chemical Property Profile of 3-(3-methyl-1H-indol-1-yl)propanoic acid
Property Insights of 3-(3-methyl-1H-indol-1-yl)propanoic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-methyl-1H-indol-1-yl)propanoic acid. With a topological polar surface area (TPSA) of 42.2 Ų, 3-(3-methyl-1H-indol-1-yl)propanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-methyl-1H-indol-1-yl)propanoic acid has 1 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 3-(3-methyl-1H-indol-1-yl)propanoic acid?
The CAS number of 3-(3-methyl-1H-indol-1-yl)propanoic acid is 5813-57-0.
What is the molecular formula of 3-(3-methyl-1H-indol-1-yl)propanoic acid?
The molecular formula of 3-(3-methyl-1H-indol-1-yl)propanoic acid is C12H13NO2.
What is the molecular weight of 3-(3-methyl-1H-indol-1-yl)propanoic acid?
The molecular weight of 3-(3-methyl-1H-indol-1-yl)propanoic acid is 203.09 g/mol.
Where can I buy 3-(3-methyl-1H-indol-1-yl)propanoic acid?
You can request a quote for 3-(3-methyl-1H-indol-1-yl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-methyl-1H-indol-1-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-methyl-1H-indol-1-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.