3-(5-Nitro-1h-indol-3-yl)propanoic acid
TL;DR: 3-(5-Nitro-1h-indol-3-yl)propanoic acid (CAS 87938-34-9) is a chemical compound with molecular formula C11H10N2O4 and molecular weight 234.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5-nitro-1H-indol-3-yl)propanoic acid
Also Known As: 3-(5-nitro-1h-indol-3-yl)propanoic acid, starbld0043971, 3-(5-Nitro-3-indolyl)propanoic Acid, 1H-Indole-3-propanoicacid, 5-nitro-, 3-(5-nitro-indol-3-yl)-propionic acid
| Molecular Formula | C11H10N2O4 |
|---|---|
| Molecular Weight | 234.06 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 98.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 234.06406 |
| Heavy Atoms | 17 |
| Complexity | 315.0 |
Chemical Identifiers
| CAS Number | 87938-34-9 |
|---|---|
| SMILES | C1=CC2=C(C=C1[N+](=O)[O-])C(=CN2)CCC(=O)O |
| InChIKey | IFXFDUMTLUZXAA-UHFFFAOYSA-N |
Product Overview
3-(5-Nitro-1h-indol-3-yl)propanoic acid (CAS 87938-34-9), with molecular formula C11H10N2O4 and molecular weight 234.06 g/mol. IUPAC: 3-(5-nitro-1H-indol-3-yl)propanoic acid.
Chemical Property Profile of 3-(5-Nitro-1h-indol-3-yl)propanoic acid
Property Insights of 3-(5-Nitro-1h-indol-3-yl)propanoic acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(5-Nitro-1h-indol-3-yl)propanoic acid. The TPSA of 98.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(5-Nitro-1h-indol-3-yl)propanoic acid. Following Lipinski's Rule of Five, 3-(5-Nitro-1h-indol-3-yl)propanoic acid has 2 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 3-(5-Nitro-1h-indol-3-yl)propanoic acid?
The CAS number of 3-(5-Nitro-1h-indol-3-yl)propanoic acid is 87938-34-9.
What is the molecular formula of 3-(5-Nitro-1h-indol-3-yl)propanoic acid?
The molecular formula of 3-(5-Nitro-1h-indol-3-yl)propanoic acid is C11H10N2O4.
What is the molecular weight of 3-(5-Nitro-1h-indol-3-yl)propanoic acid?
The molecular weight of 3-(5-Nitro-1h-indol-3-yl)propanoic acid is 234.06 g/mol.
Where can I buy 3-(5-Nitro-1h-indol-3-yl)propanoic acid?
You can request a quote for 3-(5-Nitro-1h-indol-3-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-(5-Nitro-1h-indol-3-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(5-Nitro-1h-indol-3-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.