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Methyl 3-{[2-nitro-2-(phenylsulfonyl)vinyl]amino}benzenecarboxylate
TL;DR: Methyl 3-{[2-nitro-2-(phenylsulfonyl)vinyl]amino}benzenecarboxylate (CAS 477864-69-0) is a chemical compound with molecular formula C16H14N2O6S and molecular weight 362.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[[(E)-2-(benzenesulfonyl)-2-nitroethenyl]amino]benzoate
Also Known As: methyl 3-{[2-nitro-2-(phenylsulfonyl)vinyl]amino}benzenecarboxylate, methyl 3-{[(E)-2-(benzenesulfonyl)-2-nitroethenyl]amino}benzoate, methyl 3-[[(E)-2-(benzenesulfonyl)-2-nitroethenyl]amino]benzoate, methyl 3-[[(E)-2-(benzenesulfonyl)-2-nitro-vinyl]amino]benzoate, methyl3-{[(E)-2-(benzenesulfonyl)-2-nitroethenyl]amino}benzoate
| Molecular Formula | C16H14N2O6S |
|---|---|
| Molecular Weight | 362.06 g/mol |
| LogP | 2.4346 |
| Topological Polar Surface Area | 115.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 362.05725 |
| Heavy Atoms | 25 |
| Complexity | 922.65094 |
Chemical Identifiers
| CAS Number | 477864-69-0 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC=C1)N/C=C(\[N+](=O)[O-])/S(=O)(=O)C2=CC=CC=C2 |
Product Overview
Methyl 3-{[2-nitro-2-(phenylsulfonyl)vinyl]amino}benzenecarboxylate (CAS 477864-69-0), with molecular formula C16H14N2O6S and molecular weight 362.06 g/mol. IUPAC: methyl 3-[[(E)-2-(benzenesulfonyl)-2-nitroethenyl]amino]benzoate.
Chemical Property Profile of Methyl 3-{[2-nitro-2-(phenylsulfonyl)vinyl]amino}benzenecarboxylate
Property Insights of Methyl 3-{[2-nitro-2-(phenylsulfonyl)vinyl]amino}benzenecarboxylate
The XLogP value of 2.4346 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-{[2-nitro-2-(phenylsulfonyl)vinyl]amino}benzenecarboxylate. The TPSA of 115.61 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-{[2-nitro-2-(phenylsulfonyl)vinyl]amino}benzenecarboxylate. Following Lipinski's Rule of Five, Methyl 3-{[2-nitro-2-(phenylsulfonyl)vinyl]amino}benzenecarboxylate has 1 hydrogen bond donor(s) and 7 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-{[2-nitro-2-(phenylsulfonyl)vinyl]amino}benzenecarboxylate?
The CAS number of Methyl 3-{[2-nitro-2-(phenylsulfonyl)vinyl]amino}benzenecarboxylate is 477864-69-0.
What is the molecular formula of Methyl 3-{[2-nitro-2-(phenylsulfonyl)vinyl]amino}benzenecarboxylate?
The molecular formula of Methyl 3-{[2-nitro-2-(phenylsulfonyl)vinyl]amino}benzenecarboxylate is C16H14N2O6S.
What is the molecular weight of Methyl 3-{[2-nitro-2-(phenylsulfonyl)vinyl]amino}benzenecarboxylate?
The molecular weight of Methyl 3-{[2-nitro-2-(phenylsulfonyl)vinyl]amino}benzenecarboxylate is 362.06 g/mol.
Where can I buy Methyl 3-{[2-nitro-2-(phenylsulfonyl)vinyl]amino}benzenecarboxylate?
You can request a quote for Methyl 3-{[2-nitro-2-(phenylsulfonyl)vinyl]amino}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-{[2-nitro-2-(phenylsulfonyl)vinyl]amino}benzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-{[2-nitro-2-(phenylsulfonyl)vinyl]amino}benzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.