![Methyl 3-nitro-2-[(phenylsulfonyl)methyl]benzenecarboxylate structure](/static/products/860/860786-93-2.png)
Methyl 3-nitro-2-[(phenylsulfonyl)methyl]benzenecarboxylate
TL;DR: Methyl 3-nitro-2-[(phenylsulfonyl)methyl]benzenecarboxylate (CAS 860786-93-2) is a chemical compound with molecular formula C15H13NO6S and molecular weight 335.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(benzenesulfonylmethyl)-3-nitrobenzoate
Also Known As: methyl 3-nitro-2-[(phenylsulfonyl)methyl]benzenecarboxylate, methyl 2-[(benzenesulfonyl)methyl]-3-nitrobenzoate, methyl 2-(benzenesulfonylmethyl)-3-nitrobenzoate, methyl 2-(benzenesulfonylmethyl)-3-nitro-benzoate, methyl2-[(benzenesulfonyl)methyl]-3-nitrobenzoate
| Molecular Formula | C15H13NO6S |
|---|---|
| Molecular Weight | 335.05 g/mol |
| LogP | 2.3553 |
| Topological Polar Surface Area | 103.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 335.04636 |
| Heavy Atoms | 23 |
| Complexity | 845.52576 |
Chemical Identifiers
| CAS Number | 860786-93-2 |
|---|---|
| SMILES | COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])CS(=O)(=O)C2=CC=CC=C2 |
Product Overview
Methyl 3-nitro-2-[(phenylsulfonyl)methyl]benzenecarboxylate (CAS 860786-93-2), with molecular formula C15H13NO6S and molecular weight 335.05 g/mol. IUPAC: methyl 2-(benzenesulfonylmethyl)-3-nitrobenzoate.
Chemical Property Profile of Methyl 3-nitro-2-[(phenylsulfonyl)methyl]benzenecarboxylate
Property Insights of Methyl 3-nitro-2-[(phenylsulfonyl)methyl]benzenecarboxylate
The XLogP value of 2.3553 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-nitro-2-[(phenylsulfonyl)methyl]benzenecarboxylate. The TPSA of 103.58 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-nitro-2-[(phenylsulfonyl)methyl]benzenecarboxylate. Following Lipinski's Rule of Five, Methyl 3-nitro-2-[(phenylsulfonyl)methyl]benzenecarboxylate 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 Methyl 3-nitro-2-[(phenylsulfonyl)methyl]benzenecarboxylate?
The CAS number of Methyl 3-nitro-2-[(phenylsulfonyl)methyl]benzenecarboxylate is 860786-93-2.
What is the molecular formula of Methyl 3-nitro-2-[(phenylsulfonyl)methyl]benzenecarboxylate?
The molecular formula of Methyl 3-nitro-2-[(phenylsulfonyl)methyl]benzenecarboxylate is C15H13NO6S.
What is the molecular weight of Methyl 3-nitro-2-[(phenylsulfonyl)methyl]benzenecarboxylate?
The molecular weight of Methyl 3-nitro-2-[(phenylsulfonyl)methyl]benzenecarboxylate is 335.05 g/mol.
Where can I buy Methyl 3-nitro-2-[(phenylsulfonyl)methyl]benzenecarboxylate?
You can request a quote for Methyl 3-nitro-2-[(phenylsulfonyl)methyl]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-nitro-2-[(phenylsulfonyl)methyl]benzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-nitro-2-[(phenylsulfonyl)methyl]benzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.