![methyl 1-[(4-fluorophenyl)sulfonyl]-1H-pyrrole-2-carboxylate structure](/static/products/866/866154-30-5.png)
methyl 1-[(4-fluorophenyl)sulfonyl]-1H-pyrrole-2-carboxylate
TL;DR: methyl 1-[(4-fluorophenyl)sulfonyl]-1H-pyrrole-2-carboxylate (CAS 866154-30-5) is a chemical compound with molecular formula C12H10FNO4S and molecular weight 283.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-(4-fluorophenyl)sulfonylpyrrole-2-carboxylate
Also Known As: methyl 1-(4-fluorophenyl)sulfonylpyrrole-2-carboxylate, methyl 1-[(4-fluorophenyl)sulfonyl]-1H-pyrrole-2-carboxylate, methyl 1-(4-fluorobenzenesulfonyl)-1H-pyrrole-2-carboxylate, methyl1-(4-fluorobenzenesulfonyl)-1H-pyrrole-2-carboxylate
| Molecular Formula | C12H10FNO4S |
|---|---|
| Molecular Weight | 283.03 g/mol |
| LogP | 1.6508 |
| Topological Polar Surface Area | 65.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 283.03146 |
| Heavy Atoms | 19 |
| Complexity | 703.5856 |
Chemical Identifiers
| CAS Number | 866154-30-5 |
|---|---|
| SMILES | COC(=O)C1=CC=CN1S(=O)(=O)C2=CC=C(C=C2)F |
Product Overview
methyl 1-[(4-fluorophenyl)sulfonyl]-1H-pyrrole-2-carboxylate (CAS 866154-30-5), with molecular formula C12H10FNO4S and molecular weight 283.03 g/mol. IUPAC: methyl 1-(4-fluorophenyl)sulfonylpyrrole-2-carboxylate.
Chemical Property Profile of methyl 1-[(4-fluorophenyl)sulfonyl]-1H-pyrrole-2-carboxylate
Property Insights of methyl 1-[(4-fluorophenyl)sulfonyl]-1H-pyrrole-2-carboxylate
The XLogP value of 1.6508 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 1-[(4-fluorophenyl)sulfonyl]-1H-pyrrole-2-carboxylate. The TPSA of 65.37 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 1-[(4-fluorophenyl)sulfonyl]-1H-pyrrole-2-carboxylate. Following Lipinski's Rule of Five, methyl 1-[(4-fluorophenyl)sulfonyl]-1H-pyrrole-2-carboxylate has 0 hydrogen bond donor(s) and 4 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 methyl 1-[(4-fluorophenyl)sulfonyl]-1H-pyrrole-2-carboxylate?
The CAS number of methyl 1-[(4-fluorophenyl)sulfonyl]-1H-pyrrole-2-carboxylate is 866154-30-5.
What is the molecular formula of methyl 1-[(4-fluorophenyl)sulfonyl]-1H-pyrrole-2-carboxylate?
The molecular formula of methyl 1-[(4-fluorophenyl)sulfonyl]-1H-pyrrole-2-carboxylate is C12H10FNO4S.
What is the molecular weight of methyl 1-[(4-fluorophenyl)sulfonyl]-1H-pyrrole-2-carboxylate?
The molecular weight of methyl 1-[(4-fluorophenyl)sulfonyl]-1H-pyrrole-2-carboxylate is 283.03 g/mol.
Where can I buy methyl 1-[(4-fluorophenyl)sulfonyl]-1H-pyrrole-2-carboxylate?
You can request a quote for methyl 1-[(4-fluorophenyl)sulfonyl]-1H-pyrrole-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 1-[(4-fluorophenyl)sulfonyl]-1H-pyrrole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 1-[(4-fluorophenyl)sulfonyl]-1H-pyrrole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.