![ethyl 5-[2-[3-[(4-acetamidophenyl)sulfonylamino]propanoyloxy]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate structure](/static/products/852/852707-96-1.png)
ethyl 5-[2-[3-[(4-acetamidophenyl)sulfonylamino]propanoyloxy]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
TL;DR: ethyl 5-[2-[3-[(4-acetamidophenyl)sulfonylamino]propanoyloxy]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate (CAS 852707-96-1) is a chemical compound with molecular formula C22H27N3O8S and molecular weight 493.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-[2-[3-[(4-acetamidophenyl)sulfonylamino]propanoyloxy]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
Also Known As: ethyl 5-[2-[3-[(4-acetamidophenyl)sulfonylamino]propanoyloxy]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate, Ethyl 5-({[N-(4-acetamidobenzene-1-sulfonyl)-beta-alanyl]oxy}acetyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
| Molecular Formula | C22H27N3O8S |
|---|---|
| Molecular Weight | 493.15 g/mol |
| LogP | 1.86114 |
| Topological Polar Surface Area | 160.73 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 493.1519 |
| Heavy Atoms | 34 |
| Complexity | 1183.477 |
Chemical Identifiers
| CAS Number | 852707-96-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C1C)C(=O)COC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)NC(=O)C)C |
Product Overview
ethyl 5-[2-[3-[(4-acetamidophenyl)sulfonylamino]propanoyloxy]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate (CAS 852707-96-1), with molecular formula C22H27N3O8S and molecular weight 493.15 g/mol. IUPAC: ethyl 5-[2-[3-[(4-acetamidophenyl)sulfonylamino]propanoyloxy]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate.
Chemical Property Profile of ethyl 5-[2-[3-[(4-acetamidophenyl)sulfonylamino]propanoyloxy]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
Property Insights of ethyl 5-[2-[3-[(4-acetamidophenyl)sulfonylamino]propanoyloxy]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
The XLogP value of 1.86114 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 5-[2-[3-[(4-acetamidophenyl)sulfonylamino]propanoyloxy]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate. The TPSA of 160.73 Ų indicates high polarity, suggesting ethyl 5-[2-[3-[(4-acetamidophenyl)sulfonylamino]propanoyloxy]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ethyl 5-[2-[3-[(4-acetamidophenyl)sulfonylamino]propanoyloxy]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate has 3 hydrogen bond donor(s) and 8 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 5-[2-[3-[(4-acetamidophenyl)sulfonylamino]propanoyloxy]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The CAS number of ethyl 5-[2-[3-[(4-acetamidophenyl)sulfonylamino]propanoyloxy]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate is 852707-96-1.
What is the molecular formula of ethyl 5-[2-[3-[(4-acetamidophenyl)sulfonylamino]propanoyloxy]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The molecular formula of ethyl 5-[2-[3-[(4-acetamidophenyl)sulfonylamino]propanoyloxy]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate is C22H27N3O8S.
What is the molecular weight of ethyl 5-[2-[3-[(4-acetamidophenyl)sulfonylamino]propanoyloxy]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The molecular weight of ethyl 5-[2-[3-[(4-acetamidophenyl)sulfonylamino]propanoyloxy]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate is 493.15 g/mol.
Where can I buy ethyl 5-[2-[3-[(4-acetamidophenyl)sulfonylamino]propanoyloxy]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
You can request a quote for ethyl 5-[2-[3-[(4-acetamidophenyl)sulfonylamino]propanoyloxy]acetyl]-2,4-dimethyl-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 5-[2-[3-[(4-acetamidophenyl)sulfonylamino]propanoyloxy]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-[2-[3-[(4-acetamidophenyl)sulfonylamino]propanoyloxy]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.