1H-Pyrrole-2-carboxylic acid, 1-((2-amino-4-chlorophenyl)sulfonyl)-, ethyl ester
TL;DR: 1H-Pyrrole-2-carboxylic acid, 1-((2-amino-4-chlorophenyl)sulfonyl)-, ethyl ester (CAS 180905-83-3) is a chemical compound with molecular formula C13H13ClN2O4S and molecular weight 328.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-(2-amino-4-chlorophenyl)sulfonylpyrrole-2-carboxylate
Also Known As: Pyrrolyl Phenyl Sulfone deriv., 1H-Pyrrole-2-carboxylic acid, 1-((2-amino-4-chlorophenyl)sulfonyl)-, ethyl ester, Ethyl 1-((2-Amino-4-chlorophenyl)sulfonyl)-1H-pyrrole-2-carboxylate, ethyl 1-(2-amino-4-chlorophenyl)sulfonylpyrrole-2-carboxylate, ethyl 1-(2-amino-4-chloro-phenyl)sulfonylpyrrole-2-carboxylate
| Molecular Formula | C13H13ClN2O4S |
|---|---|
| Molecular Weight | 328.03 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 99.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 328.02844 |
| Heavy Atoms | 21 |
| Complexity | 479.0 |
Chemical Identifiers
| CAS Number | 180905-83-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=CN1S(=O)(=O)C2=C(C=C(C=C2)Cl)N |
| InChIKey | GPLGLDBNRNFNTD-UHFFFAOYSA-N |
Product Overview
1H-Pyrrole-2-carboxylic acid, 1-((2-amino-4-chlorophenyl)sulfonyl)-, ethyl ester (CAS 180905-83-3), with molecular formula C13H13ClN2O4S and molecular weight 328.03 g/mol. IUPAC: ethyl 1-(2-amino-4-chlorophenyl)sulfonylpyrrole-2-carboxylate.
Chemical Property Profile of 1H-Pyrrole-2-carboxylic acid, 1-((2-amino-4-chlorophenyl)sulfonyl)-, ethyl ester
Property Insights of 1H-Pyrrole-2-carboxylic acid, 1-((2-amino-4-chlorophenyl)sulfonyl)-, ethyl ester
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrrole-2-carboxylic acid, 1-((2-amino-4-chlorophenyl)sulfonyl)-, ethyl ester. The TPSA of 99.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Pyrrole-2-carboxylic acid, 1-((2-amino-4-chlorophenyl)sulfonyl)-, ethyl ester. Following Lipinski's Rule of Five, 1H-Pyrrole-2-carboxylic acid, 1-((2-amino-4-chlorophenyl)sulfonyl)-, ethyl ester has 1 hydrogen bond donor(s) and 5 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 1H-Pyrrole-2-carboxylic acid, 1-((2-amino-4-chlorophenyl)sulfonyl)-, ethyl ester?
The CAS number of 1H-Pyrrole-2-carboxylic acid, 1-((2-amino-4-chlorophenyl)sulfonyl)-, ethyl ester is 180905-83-3.
What is the molecular formula of 1H-Pyrrole-2-carboxylic acid, 1-((2-amino-4-chlorophenyl)sulfonyl)-, ethyl ester?
The molecular formula of 1H-Pyrrole-2-carboxylic acid, 1-((2-amino-4-chlorophenyl)sulfonyl)-, ethyl ester is C13H13ClN2O4S.
What is the molecular weight of 1H-Pyrrole-2-carboxylic acid, 1-((2-amino-4-chlorophenyl)sulfonyl)-, ethyl ester?
The molecular weight of 1H-Pyrrole-2-carboxylic acid, 1-((2-amino-4-chlorophenyl)sulfonyl)-, ethyl ester is 328.03 g/mol.
Where can I buy 1H-Pyrrole-2-carboxylic acid, 1-((2-amino-4-chlorophenyl)sulfonyl)-, ethyl ester?
You can request a quote for 1H-Pyrrole-2-carboxylic acid, 1-((2-amino-4-chlorophenyl)sulfonyl)-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Pyrrole-2-carboxylic acid, 1-((2-amino-4-chlorophenyl)sulfonyl)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrrole-2-carboxylic acid, 1-((2-amino-4-chlorophenyl)sulfonyl)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.