tert-Butyl 1-methyl-4-nitro-1H-pyrrole-2-carboxylate
TL;DR: tert-Butyl 1-methyl-4-nitro-1H-pyrrole-2-carboxylate (CAS 67974-08-7) is a chemical compound with molecular formula C10H14N2O4 and molecular weight 226.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 1-methyl-4-nitropyrrole-2-carboxylate
Also Known As: tert-Butyl 1-methyl-4-nitro-1H-pyrrole-2-carboxylate, 3-Amino-1-adamantanol, tert-butyl 1-methyl-4-nitropyrrole-2-carboxylate, tert-butyl 1-methyl-4-nitro-pyrrole-2-carboxylate, 1H-Pyrrole-2-carboxylic acid, 1-methyl-4-nitro-, 1,1-dimethylethyl ester
| Molecular Formula | C10H14N2O4 |
|---|---|
| Molecular Weight | 226.10 g/mol |
| LogP | 1.8886 |
| Topological Polar Surface Area | 74.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 226.09535 |
| Heavy Atoms | 16 |
| Complexity | 428.5177 |
Chemical Identifiers
| CAS Number | 67974-08-7 |
|---|---|
| SMILES | CC(C)(C)OC(=O)C1=CC(=CN1C)[N+](=O)[O-] |
Product Overview
tert-Butyl 1-methyl-4-nitro-1H-pyrrole-2-carboxylate (CAS 67974-08-7), with molecular formula C10H14N2O4 and molecular weight 226.10 g/mol. IUPAC: tert-butyl 1-methyl-4-nitropyrrole-2-carboxylate.
Chemical Property Profile of tert-Butyl 1-methyl-4-nitro-1H-pyrrole-2-carboxylate
Property Insights of tert-Butyl 1-methyl-4-nitro-1H-pyrrole-2-carboxylate
The XLogP value of 1.8886 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-Butyl 1-methyl-4-nitro-1H-pyrrole-2-carboxylate. The TPSA of 74.37 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-Butyl 1-methyl-4-nitro-1H-pyrrole-2-carboxylate. Following Lipinski's Rule of Five, tert-Butyl 1-methyl-4-nitro-1H-pyrrole-2-carboxylate 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 tert-Butyl 1-methyl-4-nitro-1H-pyrrole-2-carboxylate?
The CAS number of tert-Butyl 1-methyl-4-nitro-1H-pyrrole-2-carboxylate is 67974-08-7.
What is the molecular formula of tert-Butyl 1-methyl-4-nitro-1H-pyrrole-2-carboxylate?
The molecular formula of tert-Butyl 1-methyl-4-nitro-1H-pyrrole-2-carboxylate is C10H14N2O4.
What is the molecular weight of tert-Butyl 1-methyl-4-nitro-1H-pyrrole-2-carboxylate?
The molecular weight of tert-Butyl 1-methyl-4-nitro-1H-pyrrole-2-carboxylate is 226.10 g/mol.
Where can I buy tert-Butyl 1-methyl-4-nitro-1H-pyrrole-2-carboxylate?
You can request a quote for tert-Butyl 1-methyl-4-nitro-1H-pyrrole-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-Butyl 1-methyl-4-nitro-1H-pyrrole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyl 1-methyl-4-nitro-1H-pyrrole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.