Pyrrolyl Phenyl Sulfone deriv.
TL;DR: Pyrrolyl Phenyl Sulfone deriv. (CAS 173908-33-3) is a chemical compound with molecular formula C12H11ClN2O4S and molecular weight 314.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 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)-, methyl ester, Methyl 1-((2-Amino-4-chlorophenyl)sulfonyl)-1H-pyrrole-2-carboxylate, methyl 1-(2-amino-4-chlorophenyl)sulfonylpyrrole-2-carboxylate, methyl 1-(2-amino-4-chloro-phenyl)sulfonylpyrrole-2-carboxylate
| Molecular Formula | C12H11ClN2O4S |
|---|---|
| Molecular Weight | 314.01 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 99.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.01282 |
| Heavy Atoms | 20 |
| Complexity | 465.0 |
Chemical Identifiers
| CAS Number | 173908-33-3 |
|---|---|
| SMILES | COC(=O)C1=CC=CN1S(=O)(=O)C2=C(C=C(C=C2)Cl)N |
| InChIKey | VMUOWQLJGDCJAU-UHFFFAOYSA-N |
Product Overview
Pyrrolyl Phenyl Sulfone deriv. (CAS 173908-33-3), with molecular formula C12H11ClN2O4S and molecular weight 314.01 g/mol. IUPAC: methyl 1-(2-amino-4-chlorophenyl)sulfonylpyrrole-2-carboxylate.
Chemical Property Profile of Pyrrolyl Phenyl Sulfone deriv.
Property Insights of Pyrrolyl Phenyl Sulfone deriv.
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrrolyl Phenyl Sulfone deriv.. The TPSA of 99.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrrolyl Phenyl Sulfone deriv.. Following Lipinski's Rule of Five, Pyrrolyl Phenyl Sulfone deriv. 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 Pyrrolyl Phenyl Sulfone deriv.?
The CAS number of Pyrrolyl Phenyl Sulfone deriv. is 173908-33-3.
What is the molecular formula of Pyrrolyl Phenyl Sulfone deriv.?
The molecular formula of Pyrrolyl Phenyl Sulfone deriv. is C12H11ClN2O4S.
What is the molecular weight of Pyrrolyl Phenyl Sulfone deriv.?
The molecular weight of Pyrrolyl Phenyl Sulfone deriv. is 314.01 g/mol.
Where can I buy Pyrrolyl Phenyl Sulfone deriv.?
You can request a quote for Pyrrolyl Phenyl Sulfone deriv. directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrrolyl Phenyl Sulfone deriv.?
Yes, KEHONG BIO provides custom synthesis services for Pyrrolyl Phenyl Sulfone deriv. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.