beta-Methyl-1H-indole-1-propionic acid
TL;DR: beta-Methyl-1H-indole-1-propionic acid (CAS 2457-72-9) 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-indol-1-ylbutanoic acid
Also Known As: 3-indol-1-ylbutanoic acid, 3-(1h-indol-1-yl)butanoic acid, beta-Methyl-1H-indole-1-propionic acid, beta-methyl-1H-indole-1-propionicacid, 1H-Indole-1-propanoicacid, b-methyl-
| 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 | 2457-72-9 |
|---|---|
| SMILES | CC(CC(=O)O)N1C=CC2=CC=CC=C21 |
| InChIKey | CRBDMBOXRGTJDX-UHFFFAOYSA-N |
Product Overview
beta-Methyl-1H-indole-1-propionic acid (CAS 2457-72-9), with molecular formula C12H13NO2 and molecular weight 203.09 g/mol. IUPAC: 3-indol-1-ylbutanoic acid.
Chemical Property Profile of beta-Methyl-1H-indole-1-propionic acid
Property Insights of beta-Methyl-1H-indole-1-propionic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for beta-Methyl-1H-indole-1-propionic acid. With a topological polar surface area (TPSA) of 42.2 Ų, beta-Methyl-1H-indole-1-propionic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, beta-Methyl-1H-indole-1-propionic 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 beta-Methyl-1H-indole-1-propionic acid?
The CAS number of beta-Methyl-1H-indole-1-propionic acid is 2457-72-9.
What is the molecular formula of beta-Methyl-1H-indole-1-propionic acid?
The molecular formula of beta-Methyl-1H-indole-1-propionic acid is C12H13NO2.
What is the molecular weight of beta-Methyl-1H-indole-1-propionic acid?
The molecular weight of beta-Methyl-1H-indole-1-propionic acid is 203.09 g/mol.
Where can I buy beta-Methyl-1H-indole-1-propionic acid?
You can request a quote for beta-Methyl-1H-indole-1-propionic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-Methyl-1H-indole-1-propionic acid?
Yes, KEHONG BIO provides custom synthesis services for beta-Methyl-1H-indole-1-propionic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.