4-((tert-Butoxycarbonyl)amino)-3-methoxy-1-methyl-1H-pyrrole-2-carboxylic acid
TL;DR: 4-((tert-Butoxycarbonyl)amino)-3-methoxy-1-methyl-1H-pyrrole-2-carboxylic acid (CAS 212184-27-5) is a chemical compound with molecular formula C12H18N2O5 and molecular weight 270.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methoxy-1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylic acid
Also Known As: J1.413.943E, 4-(Boc-amino)-3-methoxy-1-methyl-1H-pyrrole-2-carboxylic Acid, 4-((tert-Butoxycarbonyl)amino)-3-methoxy-1-methyl-1H-pyrrole-2-carboxylic acid, 1-Methyl-3-methoxy-4-[(tert-butoxycarbonyl)amino]-1H-pyrrole-2-carboxylic acid, 1-Methyl-3-methoxy-4-[(tert-butyloxycarbonyl)amino]-1H-pyrrole-2-carboxylic acid
| Molecular Formula | C12H18N2O5 |
|---|---|
| Molecular Weight | 270.12 g/mol |
| LogP | 2.0789 |
| Topological Polar Surface Area | 89.79 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 270.12158 |
| Heavy Atoms | 19 |
| Complexity | 498.9534 |
Chemical Identifiers
| CAS Number | 212184-27-5 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NC1=CN(C(=C1OC)C(=O)O)C |
Product Overview
4-((tert-Butoxycarbonyl)amino)-3-methoxy-1-methyl-1H-pyrrole-2-carboxylic acid (CAS 212184-27-5), with molecular formula C12H18N2O5 and molecular weight 270.12 g/mol. IUPAC: 3-methoxy-1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylic acid.
Chemical Property Profile of 4-((tert-Butoxycarbonyl)amino)-3-methoxy-1-methyl-1H-pyrrole-2-carboxylic acid
Property Insights of 4-((tert-Butoxycarbonyl)amino)-3-methoxy-1-methyl-1H-pyrrole-2-carboxylic acid
The XLogP value of 2.0789 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((tert-Butoxycarbonyl)amino)-3-methoxy-1-methyl-1H-pyrrole-2-carboxylic acid. The TPSA of 89.79 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((tert-Butoxycarbonyl)amino)-3-methoxy-1-methyl-1H-pyrrole-2-carboxylic acid. Following Lipinski's Rule of Five, 4-((tert-Butoxycarbonyl)amino)-3-methoxy-1-methyl-1H-pyrrole-2-carboxylic 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 4-((tert-Butoxycarbonyl)amino)-3-methoxy-1-methyl-1H-pyrrole-2-carboxylic acid?
The CAS number of 4-((tert-Butoxycarbonyl)amino)-3-methoxy-1-methyl-1H-pyrrole-2-carboxylic acid is 212184-27-5.
What is the molecular formula of 4-((tert-Butoxycarbonyl)amino)-3-methoxy-1-methyl-1H-pyrrole-2-carboxylic acid?
The molecular formula of 4-((tert-Butoxycarbonyl)amino)-3-methoxy-1-methyl-1H-pyrrole-2-carboxylic acid is C12H18N2O5.
What is the molecular weight of 4-((tert-Butoxycarbonyl)amino)-3-methoxy-1-methyl-1H-pyrrole-2-carboxylic acid?
The molecular weight of 4-((tert-Butoxycarbonyl)amino)-3-methoxy-1-methyl-1H-pyrrole-2-carboxylic acid is 270.12 g/mol.
Where can I buy 4-((tert-Butoxycarbonyl)amino)-3-methoxy-1-methyl-1H-pyrrole-2-carboxylic acid?
You can request a quote for 4-((tert-Butoxycarbonyl)amino)-3-methoxy-1-methyl-1H-pyrrole-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((tert-Butoxycarbonyl)amino)-3-methoxy-1-methyl-1H-pyrrole-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-((tert-Butoxycarbonyl)amino)-3-methoxy-1-methyl-1H-pyrrole-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.