![4-O-methyl 2-O-[2-(5-methylthiophen-2-yl)-2-oxoethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate structure](/static/products/924/924115-50-4.png)
4-O-methyl 2-O-[2-(5-methylthiophen-2-yl)-2-oxoethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
TL;DR: 4-O-methyl 2-O-[2-(5-methylthiophen-2-yl)-2-oxoethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate (CAS 924115-50-4) is a chemical compound with molecular formula C16H17NO5S and molecular weight 335.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-O-methyl 2-O-[2-(5-methylthiophen-2-yl)-2-oxoethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
Also Known As: 4-O-methyl 2-O-[2-(5-methylthiophen-2-yl)-2-oxoethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate, 4-methyl 2-[2-(5-methylthiophen-2-yl)-2-oxoethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
| Molecular Formula | C16H17NO5S |
|---|---|
| Molecular Weight | 335.08 g/mol |
| LogP | 2.82776 |
| Topological Polar Surface Area | 85.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 335.08273 |
| Heavy Atoms | 23 |
| Complexity | 771.5278 |
Chemical Identifiers
| CAS Number | 924115-50-4 |
|---|---|
| SMILES | CC1=CC=C(S1)C(=O)COC(=O)C2=C(C(=C(N2)C)C(=O)OC)C |
Product Overview
4-O-methyl 2-O-[2-(5-methylthiophen-2-yl)-2-oxoethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate (CAS 924115-50-4), with molecular formula C16H17NO5S and molecular weight 335.08 g/mol. IUPAC: 4-O-methyl 2-O-[2-(5-methylthiophen-2-yl)-2-oxoethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate.
Chemical Property Profile of 4-O-methyl 2-O-[2-(5-methylthiophen-2-yl)-2-oxoethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
Property Insights of 4-O-methyl 2-O-[2-(5-methylthiophen-2-yl)-2-oxoethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
The XLogP value of 2.82776 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-O-methyl 2-O-[2-(5-methylthiophen-2-yl)-2-oxoethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate. The TPSA of 85.46 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-O-methyl 2-O-[2-(5-methylthiophen-2-yl)-2-oxoethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate. Following Lipinski's Rule of Five, 4-O-methyl 2-O-[2-(5-methylthiophen-2-yl)-2-oxoethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate 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 4-O-methyl 2-O-[2-(5-methylthiophen-2-yl)-2-oxoethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate?
The CAS number of 4-O-methyl 2-O-[2-(5-methylthiophen-2-yl)-2-oxoethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate is 924115-50-4.
What is the molecular formula of 4-O-methyl 2-O-[2-(5-methylthiophen-2-yl)-2-oxoethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate?
The molecular formula of 4-O-methyl 2-O-[2-(5-methylthiophen-2-yl)-2-oxoethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate is C16H17NO5S.
What is the molecular weight of 4-O-methyl 2-O-[2-(5-methylthiophen-2-yl)-2-oxoethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate?
The molecular weight of 4-O-methyl 2-O-[2-(5-methylthiophen-2-yl)-2-oxoethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate is 335.08 g/mol.
Where can I buy 4-O-methyl 2-O-[2-(5-methylthiophen-2-yl)-2-oxoethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate?
You can request a quote for 4-O-methyl 2-O-[2-(5-methylthiophen-2-yl)-2-oxoethyl] 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-methyl 2-O-[2-(5-methylthiophen-2-yl)-2-oxoethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-O-methyl 2-O-[2-(5-methylthiophen-2-yl)-2-oxoethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.