Methyl 3-(1H-indol-3-yl)propanoate
TL;DR: Methyl 3-(1H-indol-3-yl)propanoate (CAS 5548-09-4) 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.
methyl 3-(1H-indol-3-yl)propanoate
Also Known As: Methyl 3-(1H-indol-3-yl)propanoate, Methyl indole-3-propanoate, 1H-Indole-3-propanoic acid, methyl ester, Methyl indole-3-propionate, Methyl 3-indolepropionate
| Molecular Formula | C12H13NO2 |
|---|---|
| Molecular Weight | 203.09 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 42.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 203.09464 |
| Heavy Atoms | 15 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 5548-09-4 |
|---|---|
| SMILES | COC(=O)CCC1=CNC2=CC=CC=C21 |
| InChIKey | BAYIDMGOQRXHBC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3-(1H-indol-3-yl)propanoate (CAS 5548-09-4), with molecular formula C12H13NO2 and molecular weight 203.09 g/mol. IUPAC: methyl 3-(1H-indol-3-yl)propanoate.
Chemical Property Profile of Methyl 3-(1H-indol-3-yl)propanoate
Property Insights of Methyl 3-(1H-indol-3-yl)propanoate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(1H-indol-3-yl)propanoate. With a topological polar surface area (TPSA) of 42.1 Ų, Methyl 3-(1H-indol-3-yl)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-(1H-indol-3-yl)propanoate 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 Methyl 3-(1H-indol-3-yl)propanoate?
The CAS number of Methyl 3-(1H-indol-3-yl)propanoate is 5548-09-4.
What is the molecular formula of Methyl 3-(1H-indol-3-yl)propanoate?
The molecular formula of Methyl 3-(1H-indol-3-yl)propanoate is C12H13NO2.
What is the molecular weight of Methyl 3-(1H-indol-3-yl)propanoate?
The molecular weight of Methyl 3-(1H-indol-3-yl)propanoate is 203.09 g/mol.
Where can I buy Methyl 3-(1H-indol-3-yl)propanoate?
You can request a quote for Methyl 3-(1H-indol-3-yl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(1H-indol-3-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(1H-indol-3-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.