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Ethyl 3-{[(4-chlorophenyl)sulfonyl]methyl}-4-nitrobenzenecarboxylate
TL;DR: Ethyl 3-{[(4-chlorophenyl)sulfonyl]methyl}-4-nitrobenzenecarboxylate (CAS 339101-60-9) is a chemical compound with molecular formula C16H14ClNO6S and molecular weight 383.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[(4-chlorophenyl)sulfonylmethyl]-4-nitrobenzoate
Also Known As: Bionet1_002699, ethyl 3-{[(4-chlorophenyl)sulfonyl]methyl}-4-nitrobenzenecarboxylate, ethyl 3-[(4-chlorobenzenesulfonyl)methyl]-4-nitrobenzoate, ethyl 3-[(4-chlorophenyl)sulfonylmethyl]-4-nitrobenzoate, ethyl3-[(4-chlorobenzenesulfonyl)methyl]-4-nitrobenzoate
| Molecular Formula | C16H14ClNO6S |
|---|---|
| Molecular Weight | 383.02 g/mol |
| LogP | 3.3988 |
| Topological Polar Surface Area | 103.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 383.02304 |
| Heavy Atoms | 25 |
| Complexity | 908.7222 |
Chemical Identifiers
| CAS Number | 339101-60-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])CS(=O)(=O)C2=CC=C(C=C2)Cl |
Product Overview
Ethyl 3-{[(4-chlorophenyl)sulfonyl]methyl}-4-nitrobenzenecarboxylate (CAS 339101-60-9), with molecular formula C16H14ClNO6S and molecular weight 383.02 g/mol. IUPAC: ethyl 3-[(4-chlorophenyl)sulfonylmethyl]-4-nitrobenzoate.
Chemical Property Profile of Ethyl 3-{[(4-chlorophenyl)sulfonyl]methyl}-4-nitrobenzenecarboxylate
Property Insights of Ethyl 3-{[(4-chlorophenyl)sulfonyl]methyl}-4-nitrobenzenecarboxylate
The XLogP value of 3.3988 indicates that Ethyl 3-{[(4-chlorophenyl)sulfonyl]methyl}-4-nitrobenzenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.58 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-{[(4-chlorophenyl)sulfonyl]methyl}-4-nitrobenzenecarboxylate. Following Lipinski's Rule of Five, Ethyl 3-{[(4-chlorophenyl)sulfonyl]methyl}-4-nitrobenzenecarboxylate has 0 hydrogen bond donor(s) and 6 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 Ethyl 3-{[(4-chlorophenyl)sulfonyl]methyl}-4-nitrobenzenecarboxylate?
The CAS number of Ethyl 3-{[(4-chlorophenyl)sulfonyl]methyl}-4-nitrobenzenecarboxylate is 339101-60-9.
What is the molecular formula of Ethyl 3-{[(4-chlorophenyl)sulfonyl]methyl}-4-nitrobenzenecarboxylate?
The molecular formula of Ethyl 3-{[(4-chlorophenyl)sulfonyl]methyl}-4-nitrobenzenecarboxylate is C16H14ClNO6S.
What is the molecular weight of Ethyl 3-{[(4-chlorophenyl)sulfonyl]methyl}-4-nitrobenzenecarboxylate?
The molecular weight of Ethyl 3-{[(4-chlorophenyl)sulfonyl]methyl}-4-nitrobenzenecarboxylate is 383.02 g/mol.
Where can I buy Ethyl 3-{[(4-chlorophenyl)sulfonyl]methyl}-4-nitrobenzenecarboxylate?
You can request a quote for Ethyl 3-{[(4-chlorophenyl)sulfonyl]methyl}-4-nitrobenzenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-{[(4-chlorophenyl)sulfonyl]methyl}-4-nitrobenzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-{[(4-chlorophenyl)sulfonyl]methyl}-4-nitrobenzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.