![[(1-methyl-1H-pyrrole-2-carbonyl)carbamoyl]methyl 2-[2-(4-methylphenyl)ethenesulfonamido]acetate structure](/static/products/874/874012-87-0.png)
[(1-methyl-1H-pyrrole-2-carbonyl)carbamoyl]methyl 2-[2-(4-methylphenyl)ethenesulfonamido]acetate
TL;DR: [(1-methyl-1H-pyrrole-2-carbonyl)carbamoyl]methyl 2-[2-(4-methylphenyl)ethenesulfonamido]acetate (CAS 874012-87-0) is a chemical compound with molecular formula C19H21N3O6S and molecular weight 419.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetate
Also Known As: [(1-methyl-1H-pyrrole-2-carbonyl)carbamoyl]methyl 2-[2-(4-methylphenyl)ethenesulfonamido]acetate|[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetate|EN300-26602256
| Molecular Formula | C19H21N3O6S |
|---|---|
| Molecular Weight | 419.12 g/mol |
| LogP | 0.72342 |
| Topological Polar Surface Area | 123.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 419.1151 |
| Heavy Atoms | 29 |
| Complexity | 1022.4689 |
Chemical Identifiers
| CAS Number | 874012-87-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)/C=C/S(=O)(=O)NCC(=O)OCC(=O)NC(=O)C2=CC=CN2C |
Product Overview
[(1-methyl-1H-pyrrole-2-carbonyl)carbamoyl]methyl 2-[2-(4-methylphenyl)ethenesulfonamido]acetate (CAS 874012-87-0), with molecular formula C19H21N3O6S and molecular weight 419.12 g/mol. IUPAC: [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetate.
Chemical Property Profile of [(1-methyl-1H-pyrrole-2-carbonyl)carbamoyl]methyl 2-[2-(4-methylphenyl)ethenesulfonamido]acetate
Property Insights of [(1-methyl-1H-pyrrole-2-carbonyl)carbamoyl]methyl 2-[2-(4-methylphenyl)ethenesulfonamido]acetate
The XLogP value of 0.72342 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(1-methyl-1H-pyrrole-2-carbonyl)carbamoyl]methyl 2-[2-(4-methylphenyl)ethenesulfonamido]acetate. The TPSA of 123.57 Ų falls within the moderate polarity range, balancing permeability and solubility for [(1-methyl-1H-pyrrole-2-carbonyl)carbamoyl]methyl 2-[2-(4-methylphenyl)ethenesulfonamido]acetate. Following Lipinski's Rule of Five, [(1-methyl-1H-pyrrole-2-carbonyl)carbamoyl]methyl 2-[2-(4-methylphenyl)ethenesulfonamido]acetate has 2 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 [(1-methyl-1H-pyrrole-2-carbonyl)carbamoyl]methyl 2-[2-(4-methylphenyl)ethenesulfonamido]acetate?
The CAS number of [(1-methyl-1H-pyrrole-2-carbonyl)carbamoyl]methyl 2-[2-(4-methylphenyl)ethenesulfonamido]acetate is 874012-87-0.
What is the molecular formula of [(1-methyl-1H-pyrrole-2-carbonyl)carbamoyl]methyl 2-[2-(4-methylphenyl)ethenesulfonamido]acetate?
The molecular formula of [(1-methyl-1H-pyrrole-2-carbonyl)carbamoyl]methyl 2-[2-(4-methylphenyl)ethenesulfonamido]acetate is C19H21N3O6S.
What is the molecular weight of [(1-methyl-1H-pyrrole-2-carbonyl)carbamoyl]methyl 2-[2-(4-methylphenyl)ethenesulfonamido]acetate?
The molecular weight of [(1-methyl-1H-pyrrole-2-carbonyl)carbamoyl]methyl 2-[2-(4-methylphenyl)ethenesulfonamido]acetate is 419.12 g/mol.
Where can I buy [(1-methyl-1H-pyrrole-2-carbonyl)carbamoyl]methyl 2-[2-(4-methylphenyl)ethenesulfonamido]acetate?
You can request a quote for [(1-methyl-1H-pyrrole-2-carbonyl)carbamoyl]methyl 2-[2-(4-methylphenyl)ethenesulfonamido]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(1-methyl-1H-pyrrole-2-carbonyl)carbamoyl]methyl 2-[2-(4-methylphenyl)ethenesulfonamido]acetate?
Yes, KEHONG BIO provides custom synthesis services for [(1-methyl-1H-pyrrole-2-carbonyl)carbamoyl]methyl 2-[2-(4-methylphenyl)ethenesulfonamido]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.