methyl 5-(acetyloxy)-4-(2-methoxy-2-oxoethyl)-2-methyl-1H-pyrrole-3-carboxylate
TL;DR: methyl 5-(acetyloxy)-4-(2-methoxy-2-oxoethyl)-2-methyl-1H-pyrrole-3-carboxylate (CAS 175136-05-7) is a chemical compound with molecular formula C12H15NO6 and molecular weight 269.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-acetyloxy-4-(2-methoxy-2-oxoethyl)-2-methyl-1H-pyrrole-3-carboxylate
Also Known As: Maybridge1_002073, methyl 5-(acetyloxy)-4-(2-methoxy-2-oxoethyl)-2-methyl-1H-pyrrole-3-carboxylate, methyl 5-acetyloxy-4-(2-methoxy-2-oxoethyl)-2-methyl-1H-pyrrole-3-carboxylate, METHYL 2-ACETOXY-4-METHOXYCARBONYL-5-METHYLPYRROL-3-YLACETATE, Methyl 5-acetoxy-4-(2-methoxy-2-oxoethyl)-2-methyl-1H-pyrrole-3-carboxylate
| Molecular Formula | C12H15NO6 |
|---|---|
| Molecular Weight | 269.09 g/mol |
| LogP | 0.75052 |
| Topological Polar Surface Area | 94.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 269.08994 |
| Heavy Atoms | 19 |
| Complexity | 516.5344 |
Chemical Identifiers
| CAS Number | 175136-05-7 |
|---|---|
| SMILES | CC1=C(C(=C(N1)OC(=O)C)CC(=O)OC)C(=O)OC |
Product Overview
methyl 5-(acetyloxy)-4-(2-methoxy-2-oxoethyl)-2-methyl-1H-pyrrole-3-carboxylate (CAS 175136-05-7), with molecular formula C12H15NO6 and molecular weight 269.09 g/mol. IUPAC: methyl 5-acetyloxy-4-(2-methoxy-2-oxoethyl)-2-methyl-1H-pyrrole-3-carboxylate.
Chemical Property Profile of methyl 5-(acetyloxy)-4-(2-methoxy-2-oxoethyl)-2-methyl-1H-pyrrole-3-carboxylate
Property Insights of methyl 5-(acetyloxy)-4-(2-methoxy-2-oxoethyl)-2-methyl-1H-pyrrole-3-carboxylate
The XLogP value of 0.75052 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 5-(acetyloxy)-4-(2-methoxy-2-oxoethyl)-2-methyl-1H-pyrrole-3-carboxylate. The TPSA of 94.69 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 5-(acetyloxy)-4-(2-methoxy-2-oxoethyl)-2-methyl-1H-pyrrole-3-carboxylate. Following Lipinski's Rule of Five, methyl 5-(acetyloxy)-4-(2-methoxy-2-oxoethyl)-2-methyl-1H-pyrrole-3-carboxylate has 1 hydrogen bond donor(s) and 6 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-(acetyloxy)-4-(2-methoxy-2-oxoethyl)-2-methyl-1H-pyrrole-3-carboxylate?
The CAS number of methyl 5-(acetyloxy)-4-(2-methoxy-2-oxoethyl)-2-methyl-1H-pyrrole-3-carboxylate is 175136-05-7.
What is the molecular formula of methyl 5-(acetyloxy)-4-(2-methoxy-2-oxoethyl)-2-methyl-1H-pyrrole-3-carboxylate?
The molecular formula of methyl 5-(acetyloxy)-4-(2-methoxy-2-oxoethyl)-2-methyl-1H-pyrrole-3-carboxylate is C12H15NO6.
What is the molecular weight of methyl 5-(acetyloxy)-4-(2-methoxy-2-oxoethyl)-2-methyl-1H-pyrrole-3-carboxylate?
The molecular weight of methyl 5-(acetyloxy)-4-(2-methoxy-2-oxoethyl)-2-methyl-1H-pyrrole-3-carboxylate is 269.09 g/mol.
Where can I buy methyl 5-(acetyloxy)-4-(2-methoxy-2-oxoethyl)-2-methyl-1H-pyrrole-3-carboxylate?
You can request a quote for methyl 5-(acetyloxy)-4-(2-methoxy-2-oxoethyl)-2-methyl-1H-pyrrole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 5-(acetyloxy)-4-(2-methoxy-2-oxoethyl)-2-methyl-1H-pyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 5-(acetyloxy)-4-(2-methoxy-2-oxoethyl)-2-methyl-1H-pyrrole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.