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Methyl 1-[(4-chlorophenyl)sulfonyl]-1H-pyrrole-2-carboxylate
TL;DR: Methyl 1-[(4-chlorophenyl)sulfonyl]-1H-pyrrole-2-carboxylate (CAS 259792-70-6) is a chemical compound with molecular formula C12H10ClNO4S and molecular weight 299.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-(4-chlorophenyl)sulfonylpyrrole-2-carboxylate
Also Known As: Maybridge1_008061, methyl 1-(4-chlorophenyl)sulfonylpyrrole-2-carboxylate, Methyl 1-[(4-chlorophenyl)sulfonyl]-1H-pyrrole-2-carboxylate, Methyl 1-(4-chlorobenzene-1-sulfonyl)-1H-pyrrole-2-carboxylate
| Molecular Formula | C12H10ClNO4S |
|---|---|
| Molecular Weight | 299.00 g/mol |
| LogP | 2.1651 |
| Topological Polar Surface Area | 65.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 299.0019 |
| Heavy Atoms | 19 |
| Complexity | 703.5856 |
Chemical Identifiers
| CAS Number | 259792-70-6 |
|---|---|
| SMILES | COC(=O)C1=CC=CN1S(=O)(=O)C2=CC=C(C=C2)Cl |
Product Overview
Methyl 1-[(4-chlorophenyl)sulfonyl]-1H-pyrrole-2-carboxylate (CAS 259792-70-6), with molecular formula C12H10ClNO4S and molecular weight 299.00 g/mol. IUPAC: methyl 1-(4-chlorophenyl)sulfonylpyrrole-2-carboxylate.
Chemical Property Profile of Methyl 1-[(4-chlorophenyl)sulfonyl]-1H-pyrrole-2-carboxylate
Property Insights of Methyl 1-[(4-chlorophenyl)sulfonyl]-1H-pyrrole-2-carboxylate
The XLogP value of 2.1651 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 1-[(4-chlorophenyl)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-chlorophenyl)sulfonyl]-1H-pyrrole-2-carboxylate. Following Lipinski's Rule of Five, Methyl 1-[(4-chlorophenyl)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-chlorophenyl)sulfonyl]-1H-pyrrole-2-carboxylate?
The CAS number of Methyl 1-[(4-chlorophenyl)sulfonyl]-1H-pyrrole-2-carboxylate is 259792-70-6.
What is the molecular formula of Methyl 1-[(4-chlorophenyl)sulfonyl]-1H-pyrrole-2-carboxylate?
The molecular formula of Methyl 1-[(4-chlorophenyl)sulfonyl]-1H-pyrrole-2-carboxylate is C12H10ClNO4S.
What is the molecular weight of Methyl 1-[(4-chlorophenyl)sulfonyl]-1H-pyrrole-2-carboxylate?
The molecular weight of Methyl 1-[(4-chlorophenyl)sulfonyl]-1H-pyrrole-2-carboxylate is 299.00 g/mol.
Where can I buy Methyl 1-[(4-chlorophenyl)sulfonyl]-1H-pyrrole-2-carboxylate?
You can request a quote for Methyl 1-[(4-chlorophenyl)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-chlorophenyl)sulfonyl]-1H-pyrrole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 1-[(4-chlorophenyl)sulfonyl]-1H-pyrrole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.