Methyl 3-(5-nitro-1h-indol-3-yl)propanoate
TL;DR: Methyl 3-(5-nitro-1h-indol-3-yl)propanoate (CAS 89113-18-8) is a chemical compound with molecular formula C12H12N2O4 and molecular weight 248.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(5-nitro-1H-indol-3-yl)propanoate
Also Known As: methyl 3-(5-nitro-1h-indol-3-yl)propanoate, starbld0028361, Methyl 3-(5-Nitro-3-indolyl)propanoate, 3-(5-nitro-indol-3-yl)-propionic acid methyl ester, 3-(5-nitro-1H-indol-3-yl)propanoic acid methyl ester
| Molecular Formula | C12H12N2O4 |
|---|---|
| Molecular Weight | 248.08 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 87.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 248.07971 |
| Heavy Atoms | 18 |
| Complexity | 329.0 |
Chemical Identifiers
| CAS Number | 89113-18-8 |
|---|---|
| SMILES | COC(=O)CCC1=CNC2=C1C=C(C=C2)[N+](=O)[O-] |
| InChIKey | RJLUTOGSOQFWFJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3-(5-nitro-1h-indol-3-yl)propanoate (CAS 89113-18-8), with molecular formula C12H12N2O4 and molecular weight 248.08 g/mol. IUPAC: methyl 3-(5-nitro-1H-indol-3-yl)propanoate.
Chemical Property Profile of Methyl 3-(5-nitro-1h-indol-3-yl)propanoate
Property Insights of Methyl 3-(5-nitro-1h-indol-3-yl)propanoate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(5-nitro-1h-indol-3-yl)propanoate. The TPSA of 87.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-(5-nitro-1h-indol-3-yl)propanoate. Following Lipinski's Rule of Five, Methyl 3-(5-nitro-1h-indol-3-yl)propanoate has 1 hydrogen bond donor(s) and 4 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-(5-nitro-1h-indol-3-yl)propanoate?
The CAS number of Methyl 3-(5-nitro-1h-indol-3-yl)propanoate is 89113-18-8.
What is the molecular formula of Methyl 3-(5-nitro-1h-indol-3-yl)propanoate?
The molecular formula of Methyl 3-(5-nitro-1h-indol-3-yl)propanoate is C12H12N2O4.
What is the molecular weight of Methyl 3-(5-nitro-1h-indol-3-yl)propanoate?
The molecular weight of Methyl 3-(5-nitro-1h-indol-3-yl)propanoate is 248.08 g/mol.
Where can I buy Methyl 3-(5-nitro-1h-indol-3-yl)propanoate?
You can request a quote for Methyl 3-(5-nitro-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-(5-nitro-1h-indol-3-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(5-nitro-1h-indol-3-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.