![methyl 3-{[(4-chlorophenyl)sulfonyl]methyl}-4-(1H-pyrrol-1-yl)benzenecarboxylate structure](/static/products/3390/339016-40-9.webp)
methyl 3-{[(4-chlorophenyl)sulfonyl]methyl}-4-(1H-pyrrol-1-yl)benzenecarboxylate
TL;DR: methyl 3-{[(4-chlorophenyl)sulfonyl]methyl}-4-(1H-pyrrol-1-yl)benzenecarboxylate (CAS 339016-40-9) is a chemical compound with molecular formula C19H16ClNO4S and molecular weight 389.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[(4-chlorophenyl)sulfonylmethyl]-4-pyrrol-1-ylbenzoate
Also Known As: Bionet1_002695, methyl 3-{[(4-chlorophenyl)sulfonyl]methyl}-4-(1H-pyrrol-1-yl)benzenecarboxylate, 7L-918, methyl 3-[(4-chlorobenzenesulfonyl)methyl]-4-(1H-pyrrol-1-yl)benzoate, methyl 3-[(4-chlorophenyl)sulfonylmethyl]-4-pyrrol-1-ylbenzoate
| Molecular Formula | C19H16ClNO4S |
|---|---|
| Molecular Weight | 389.05 g/mol |
| LogP | 3.8912 |
| Topological Polar Surface Area | 65.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 389.04886 |
| Heavy Atoms | 26 |
| Complexity | 1025.9109 |
Chemical Identifiers
| CAS Number | 339016-40-9 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(C=C1)N2C=CC=C2)CS(=O)(=O)C3=CC=C(C=C3)Cl |
Product Overview
methyl 3-{[(4-chlorophenyl)sulfonyl]methyl}-4-(1H-pyrrol-1-yl)benzenecarboxylate (CAS 339016-40-9), with molecular formula C19H16ClNO4S and molecular weight 389.05 g/mol. IUPAC: methyl 3-[(4-chlorophenyl)sulfonylmethyl]-4-pyrrol-1-ylbenzoate.
Chemical Property Profile of methyl 3-{[(4-chlorophenyl)sulfonyl]methyl}-4-(1H-pyrrol-1-yl)benzenecarboxylate
Property Insights of methyl 3-{[(4-chlorophenyl)sulfonyl]methyl}-4-(1H-pyrrol-1-yl)benzenecarboxylate
The XLogP value of 3.8912 indicates that methyl 3-{[(4-chlorophenyl)sulfonyl]methyl}-4-(1H-pyrrol-1-yl)benzenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.37 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-{[(4-chlorophenyl)sulfonyl]methyl}-4-(1H-pyrrol-1-yl)benzenecarboxylate. Following Lipinski's Rule of Five, methyl 3-{[(4-chlorophenyl)sulfonyl]methyl}-4-(1H-pyrrol-1-yl)benzenecarboxylate 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 3-{[(4-chlorophenyl)sulfonyl]methyl}-4-(1H-pyrrol-1-yl)benzenecarboxylate?
The CAS number of methyl 3-{[(4-chlorophenyl)sulfonyl]methyl}-4-(1H-pyrrol-1-yl)benzenecarboxylate is 339016-40-9.
What is the molecular formula of methyl 3-{[(4-chlorophenyl)sulfonyl]methyl}-4-(1H-pyrrol-1-yl)benzenecarboxylate?
The molecular formula of methyl 3-{[(4-chlorophenyl)sulfonyl]methyl}-4-(1H-pyrrol-1-yl)benzenecarboxylate is C19H16ClNO4S.
What is the molecular weight of methyl 3-{[(4-chlorophenyl)sulfonyl]methyl}-4-(1H-pyrrol-1-yl)benzenecarboxylate?
The molecular weight of methyl 3-{[(4-chlorophenyl)sulfonyl]methyl}-4-(1H-pyrrol-1-yl)benzenecarboxylate is 389.05 g/mol.
Where can I buy methyl 3-{[(4-chlorophenyl)sulfonyl]methyl}-4-(1H-pyrrol-1-yl)benzenecarboxylate?
You can request a quote for methyl 3-{[(4-chlorophenyl)sulfonyl]methyl}-4-(1H-pyrrol-1-yl)benzenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3-{[(4-chlorophenyl)sulfonyl]methyl}-4-(1H-pyrrol-1-yl)benzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-{[(4-chlorophenyl)sulfonyl]methyl}-4-(1H-pyrrol-1-yl)benzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.