4-O-(2-amino-2-oxoethyl) 2-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
TL;DR: 4-O-(2-amino-2-oxoethyl) 2-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate (CAS 561006-11-9) is a chemical compound with molecular formula C12H16N2O5 and molecular weight 268.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-O-(2-amino-2-oxoethyl) 2-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
Also Known As: 1H-Pyrrole-2,4-dicarboxylicacid,3,5-dimethyl-,4- 2-ethylester, 4-O-(2-amino-2-oxoethyl) 2-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate, 1H-Pyrrole-2,4-dicarboxylic acid, 3,5-dimethyl-, 4-(2-amino-2-oxoethyl) 2-ethyl ester (9CI)
| Molecular Formula | C12H16N2O5 |
|---|---|
| Molecular Weight | 268.11 g/mol |
| LogP | 0.45034 |
| Topological Polar Surface Area | 111.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 268.10593 |
| Heavy Atoms | 19 |
| Complexity | 518.4346 |
Chemical Identifiers
| CAS Number | 561006-11-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C(N1)C)C(=O)OCC(=O)N)C |
Product Overview
4-O-(2-amino-2-oxoethyl) 2-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate (CAS 561006-11-9), with molecular formula C12H16N2O5 and molecular weight 268.11 g/mol. IUPAC: 4-O-(2-amino-2-oxoethyl) 2-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate.
Chemical Property Profile of 4-O-(2-amino-2-oxoethyl) 2-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
Property Insights of 4-O-(2-amino-2-oxoethyl) 2-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
The XLogP value of 0.45034 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-O-(2-amino-2-oxoethyl) 2-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate. The TPSA of 111.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-O-(2-amino-2-oxoethyl) 2-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate. Following Lipinski's Rule of Five, 4-O-(2-amino-2-oxoethyl) 2-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate has 2 hydrogen bond donor(s) and 5 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-O-(2-amino-2-oxoethyl) 2-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate?
The CAS number of 4-O-(2-amino-2-oxoethyl) 2-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate is 561006-11-9.
What is the molecular formula of 4-O-(2-amino-2-oxoethyl) 2-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate?
The molecular formula of 4-O-(2-amino-2-oxoethyl) 2-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate is C12H16N2O5.
What is the molecular weight of 4-O-(2-amino-2-oxoethyl) 2-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate?
The molecular weight of 4-O-(2-amino-2-oxoethyl) 2-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate is 268.11 g/mol.
Where can I buy 4-O-(2-amino-2-oxoethyl) 2-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate?
You can request a quote for 4-O-(2-amino-2-oxoethyl) 2-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-O-(2-amino-2-oxoethyl) 2-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-O-(2-amino-2-oxoethyl) 2-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.