![ethyl 2,5-dimethyl-4-[2-({2-[2-(4-methylphenyl)ethenesulfonamido]acetyl}oxy)acetyl]-1H-pyrrole-3-carboxylate structure](/static/products/855/855989-93-4.png)
ethyl 2,5-dimethyl-4-[2-({2-[2-(4-methylphenyl)ethenesulfonamido]acetyl}oxy)acetyl]-1H-pyrrole-3-carboxylate
TL;DR: ethyl 2,5-dimethyl-4-[2-({2-[2-(4-methylphenyl)ethenesulfonamido]acetyl}oxy)acetyl]-1H-pyrrole-3-carboxylate (CAS 855989-93-4) is a chemical compound with molecular formula C22H26N2O7S and molecular weight 462.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,5-dimethyl-4-[2-[2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetyl]oxyacetyl]-1H-pyrrole-3-carboxylate
Also Known As: ethyl 2,5-dimethyl-4-[2-({2-[2-(4-methylphenyl)ethenesulfonamido]acetyl}oxy)acetyl]-1H-pyrrole-3-carboxylate, ethyl 2,5-dimethyl-4-[2-[2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetyl]oxyacetyl]-1H-pyrrole-3-carboxylate
| Molecular Formula | C22H26N2O7S |
|---|---|
| Molecular Weight | 462.15 g/mol |
| LogP | 2.43286 |
| Topological Polar Surface Area | 131.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 462.14606 |
| Heavy Atoms | 32 |
| Complexity | 1129.7743 |
Chemical Identifiers
| CAS Number | 855989-93-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C1C(=O)COC(=O)CNS(=O)(=O)/C=C/C2=CC=C(C=C2)C)C)C |
Product Overview
ethyl 2,5-dimethyl-4-[2-({2-[2-(4-methylphenyl)ethenesulfonamido]acetyl}oxy)acetyl]-1H-pyrrole-3-carboxylate (CAS 855989-93-4), with molecular formula C22H26N2O7S and molecular weight 462.15 g/mol. IUPAC: ethyl 2,5-dimethyl-4-[2-[2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetyl]oxyacetyl]-1H-pyrrole-3-carboxylate.
Chemical Property Profile of ethyl 2,5-dimethyl-4-[2-({2-[2-(4-methylphenyl)ethenesulfonamido]acetyl}oxy)acetyl]-1H-pyrrole-3-carboxylate
Property Insights of ethyl 2,5-dimethyl-4-[2-({2-[2-(4-methylphenyl)ethenesulfonamido]acetyl}oxy)acetyl]-1H-pyrrole-3-carboxylate
The XLogP value of 2.43286 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2,5-dimethyl-4-[2-({2-[2-(4-methylphenyl)ethenesulfonamido]acetyl}oxy)acetyl]-1H-pyrrole-3-carboxylate. The TPSA of 131.63 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2,5-dimethyl-4-[2-({2-[2-(4-methylphenyl)ethenesulfonamido]acetyl}oxy)acetyl]-1H-pyrrole-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2,5-dimethyl-4-[2-({2-[2-(4-methylphenyl)ethenesulfonamido]acetyl}oxy)acetyl]-1H-pyrrole-3-carboxylate has 2 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 ethyl 2,5-dimethyl-4-[2-({2-[2-(4-methylphenyl)ethenesulfonamido]acetyl}oxy)acetyl]-1H-pyrrole-3-carboxylate?
The CAS number of ethyl 2,5-dimethyl-4-[2-({2-[2-(4-methylphenyl)ethenesulfonamido]acetyl}oxy)acetyl]-1H-pyrrole-3-carboxylate is 855989-93-4.
What is the molecular formula of ethyl 2,5-dimethyl-4-[2-({2-[2-(4-methylphenyl)ethenesulfonamido]acetyl}oxy)acetyl]-1H-pyrrole-3-carboxylate?
The molecular formula of ethyl 2,5-dimethyl-4-[2-({2-[2-(4-methylphenyl)ethenesulfonamido]acetyl}oxy)acetyl]-1H-pyrrole-3-carboxylate is C22H26N2O7S.
What is the molecular weight of ethyl 2,5-dimethyl-4-[2-({2-[2-(4-methylphenyl)ethenesulfonamido]acetyl}oxy)acetyl]-1H-pyrrole-3-carboxylate?
The molecular weight of ethyl 2,5-dimethyl-4-[2-({2-[2-(4-methylphenyl)ethenesulfonamido]acetyl}oxy)acetyl]-1H-pyrrole-3-carboxylate is 462.15 g/mol.
Where can I buy ethyl 2,5-dimethyl-4-[2-({2-[2-(4-methylphenyl)ethenesulfonamido]acetyl}oxy)acetyl]-1H-pyrrole-3-carboxylate?
You can request a quote for ethyl 2,5-dimethyl-4-[2-({2-[2-(4-methylphenyl)ethenesulfonamido]acetyl}oxy)acetyl]-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 ethyl 2,5-dimethyl-4-[2-({2-[2-(4-methylphenyl)ethenesulfonamido]acetyl}oxy)acetyl]-1H-pyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2,5-dimethyl-4-[2-({2-[2-(4-methylphenyl)ethenesulfonamido]acetyl}oxy)acetyl]-1H-pyrrole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.