4-boc-amino-1-methyl-1h-pyrrole-2-carboxylic acid 4-(2-oxo-2-phenyl-ethoxycarbonyl)-benzyl ester
TL;DR: 4-boc-amino-1-methyl-1h-pyrrole-2-carboxylic acid 4-(2-oxo-2-phenyl-ethoxycarbonyl)-benzyl ester (CAS 886497-15-0) is a chemical compound with molecular formula C27H28N2O7 and molecular weight 492.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-phenacyloxycarbonylphenyl)methyl 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylate
Also Known As: 4-boc-amino-1-methyl-1h-pyrrole-2-carboxylic acid 4-(2-oxo-2-phenyl-ethoxycarbonyl)-benzyl ester, 4-tert-Butoxycarbonylamino-1-methyl-1H-pyrrole-2-carboxylic acid 4-(2-oxo-2-phenyl-ethoxycarbonyl)-benzyl ester, (4-phenacyloxycarbonylphenyl)methyl 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylate, 4-tert-Butoxycarbonylamino-1-methyl-1H-pyrrole-2-carboxylic acid 4-(2-oxo-2-phenyl-ethoxycarbonyl)-, (4-phenacyloxycarbonylphenyl)methyl 4-(tert-butoxycarbonylamino)-1-methyl-pyrrole-2-carboxylate
| Molecular Formula | C27H28N2O7 |
|---|---|
| Molecular Weight | 492.19 g/mol |
| LogP | 4.7688 |
| Topological Polar Surface Area | 112.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 492.18964 |
| Heavy Atoms | 36 |
| Complexity | 1239.3766 |
Chemical Identifiers
| CAS Number | 886497-15-0 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NC1=CN(C(=C1)C(=O)OCC2=CC=C(C=C2)C(=O)OCC(=O)C3=CC=CC=C3)C |
Product Overview
4-boc-amino-1-methyl-1h-pyrrole-2-carboxylic acid 4-(2-oxo-2-phenyl-ethoxycarbonyl)-benzyl ester (CAS 886497-15-0), with molecular formula C27H28N2O7 and molecular weight 492.19 g/mol. IUPAC: (4-phenacyloxycarbonylphenyl)methyl 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylate.
Chemical Property Profile of 4-boc-amino-1-methyl-1h-pyrrole-2-carboxylic acid 4-(2-oxo-2-phenyl-ethoxycarbonyl)-benzyl ester
Property Insights of 4-boc-amino-1-methyl-1h-pyrrole-2-carboxylic acid 4-(2-oxo-2-phenyl-ethoxycarbonyl)-benzyl ester
The XLogP value of 4.7688 indicates that 4-boc-amino-1-methyl-1h-pyrrole-2-carboxylic acid 4-(2-oxo-2-phenyl-ethoxycarbonyl)-benzyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-boc-amino-1-methyl-1h-pyrrole-2-carboxylic acid 4-(2-oxo-2-phenyl-ethoxycarbonyl)-benzyl ester. Following Lipinski's Rule of Five, 4-boc-amino-1-methyl-1h-pyrrole-2-carboxylic acid 4-(2-oxo-2-phenyl-ethoxycarbonyl)-benzyl ester has 1 hydrogen bond donor(s) and 7 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-boc-amino-1-methyl-1h-pyrrole-2-carboxylic acid 4-(2-oxo-2-phenyl-ethoxycarbonyl)-benzyl ester?
The CAS number of 4-boc-amino-1-methyl-1h-pyrrole-2-carboxylic acid 4-(2-oxo-2-phenyl-ethoxycarbonyl)-benzyl ester is 886497-15-0.
What is the molecular formula of 4-boc-amino-1-methyl-1h-pyrrole-2-carboxylic acid 4-(2-oxo-2-phenyl-ethoxycarbonyl)-benzyl ester?
The molecular formula of 4-boc-amino-1-methyl-1h-pyrrole-2-carboxylic acid 4-(2-oxo-2-phenyl-ethoxycarbonyl)-benzyl ester is C27H28N2O7.
What is the molecular weight of 4-boc-amino-1-methyl-1h-pyrrole-2-carboxylic acid 4-(2-oxo-2-phenyl-ethoxycarbonyl)-benzyl ester?
The molecular weight of 4-boc-amino-1-methyl-1h-pyrrole-2-carboxylic acid 4-(2-oxo-2-phenyl-ethoxycarbonyl)-benzyl ester is 492.19 g/mol.
Where can I buy 4-boc-amino-1-methyl-1h-pyrrole-2-carboxylic acid 4-(2-oxo-2-phenyl-ethoxycarbonyl)-benzyl ester?
You can request a quote for 4-boc-amino-1-methyl-1h-pyrrole-2-carboxylic acid 4-(2-oxo-2-phenyl-ethoxycarbonyl)-benzyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-boc-amino-1-methyl-1h-pyrrole-2-carboxylic acid 4-(2-oxo-2-phenyl-ethoxycarbonyl)-benzyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-boc-amino-1-methyl-1h-pyrrole-2-carboxylic acid 4-(2-oxo-2-phenyl-ethoxycarbonyl)-benzyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.