methyl 5-nitro-3-phenyl-1H-indole-2-carboxylate
TL;DR: methyl 5-nitro-3-phenyl-1H-indole-2-carboxylate (CAS 298187-65-2) is a chemical compound with molecular formula C16H12N2O4 and molecular weight 296.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-nitro-3-phenyl-1H-indole-2-carboxylate
Also Known As: methyl 5-nitro-3-phenyl-1H-indole-2-carboxylate, METHYL5-NITRO-3-PHENYL-1H-INDOLE-2-CARBOXYLATE, 1H-Indole-2-carboxylicacid, 5-nitro-3-phenyl-, methyl ester
| Molecular Formula | C16H12N2O4 |
|---|---|
| Molecular Weight | 296.08 g/mol |
| LogP | 3.5297 |
| Topological Polar Surface Area | 85.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 296.0797 |
| Heavy Atoms | 22 |
| Complexity | 868.4881 |
Chemical Identifiers
| CAS Number | 298187-65-2 |
|---|---|
| SMILES | COC(=O)C1=C(C2=C(N1)C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3 |
Product Overview
methyl 5-nitro-3-phenyl-1H-indole-2-carboxylate (CAS 298187-65-2), with molecular formula C16H12N2O4 and molecular weight 296.08 g/mol. IUPAC: methyl 5-nitro-3-phenyl-1H-indole-2-carboxylate.
Chemical Property Profile of methyl 5-nitro-3-phenyl-1H-indole-2-carboxylate
Property Insights of methyl 5-nitro-3-phenyl-1H-indole-2-carboxylate
The XLogP value of 3.5297 indicates that methyl 5-nitro-3-phenyl-1H-indole-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.23 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 5-nitro-3-phenyl-1H-indole-2-carboxylate. Following Lipinski's Rule of Five, methyl 5-nitro-3-phenyl-1H-indole-2-carboxylate 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 5-nitro-3-phenyl-1H-indole-2-carboxylate?
The CAS number of methyl 5-nitro-3-phenyl-1H-indole-2-carboxylate is 298187-65-2.
What is the molecular formula of methyl 5-nitro-3-phenyl-1H-indole-2-carboxylate?
The molecular formula of methyl 5-nitro-3-phenyl-1H-indole-2-carboxylate is C16H12N2O4.
What is the molecular weight of methyl 5-nitro-3-phenyl-1H-indole-2-carboxylate?
The molecular weight of methyl 5-nitro-3-phenyl-1H-indole-2-carboxylate is 296.08 g/mol.
Where can I buy methyl 5-nitro-3-phenyl-1H-indole-2-carboxylate?
You can request a quote for methyl 5-nitro-3-phenyl-1H-indole-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 5-nitro-3-phenyl-1H-indole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 5-nitro-3-phenyl-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.