Methyl 5-nitro-2-pyrrol-1-ylbenzoate
TL;DR: Methyl 5-nitro-2-pyrrol-1-ylbenzoate (CAS 217490-11-4) is a chemical compound with molecular formula C12H10N2O4 and molecular weight 246.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-nitro-2-pyrrol-1-ylbenzoate
Also Known As: Maybridge1_000565, methyl 5-nitro-2-pyrrol-1-ylbenzoate
| Molecular Formula | C12H10N2O4 |
|---|---|
| Molecular Weight | 246.06 g/mol |
| LogP | 2.1721 |
| Topological Polar Surface Area | 74.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 246.06406 |
| Heavy Atoms | 18 |
| Complexity | 590.1298 |
Chemical Identifiers
| CAS Number | 217490-11-4 |
|---|---|
| SMILES | COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2C=CC=C2 |
Product Overview
Methyl 5-nitro-2-pyrrol-1-ylbenzoate (CAS 217490-11-4), with molecular formula C12H10N2O4 and molecular weight 246.06 g/mol. IUPAC: methyl 5-nitro-2-pyrrol-1-ylbenzoate.
Chemical Property Profile of Methyl 5-nitro-2-pyrrol-1-ylbenzoate
Property Insights of Methyl 5-nitro-2-pyrrol-1-ylbenzoate
The XLogP value of 2.1721 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 5-nitro-2-pyrrol-1-ylbenzoate. The TPSA of 74.37 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 5-nitro-2-pyrrol-1-ylbenzoate. Following Lipinski's Rule of Five, Methyl 5-nitro-2-pyrrol-1-ylbenzoate has 0 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-2-pyrrol-1-ylbenzoate?
The CAS number of Methyl 5-nitro-2-pyrrol-1-ylbenzoate is 217490-11-4.
What is the molecular formula of Methyl 5-nitro-2-pyrrol-1-ylbenzoate?
The molecular formula of Methyl 5-nitro-2-pyrrol-1-ylbenzoate is C12H10N2O4.
What is the molecular weight of Methyl 5-nitro-2-pyrrol-1-ylbenzoate?
The molecular weight of Methyl 5-nitro-2-pyrrol-1-ylbenzoate is 246.06 g/mol.
Where can I buy Methyl 5-nitro-2-pyrrol-1-ylbenzoate?
You can request a quote for Methyl 5-nitro-2-pyrrol-1-ylbenzoate 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-2-pyrrol-1-ylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-nitro-2-pyrrol-1-ylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.