Methyl 4-(3-nitrophenyl)sulfonyloxybenzoate
TL;DR: Methyl 4-(3-nitrophenyl)sulfonyloxybenzoate (CAS 7254-03-7) is a chemical compound with molecular formula C14H11NO7S and molecular weight 337.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(3-nitrophenyl)sulfonyloxybenzoate
Also Known As: methyl 4-(3-nitrophenyl)sulfonyloxybenzoate, methyl 4-{[(3-nitrophenyl)sulfonyl]oxy}benzoate, methyl 4-(3-nitrobenzenesulfonyloxy)benzoate, Methyl 4-[(3-nitrobenzene-1-sulfonyl)oxy]benzoate
| Molecular Formula | C14H11NO7S |
|---|---|
| Molecular Weight | 337.03 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 337.02563 |
| Heavy Atoms | 23 |
| Complexity | 528.0 |
Chemical Identifiers
| CAS Number | 7254-03-7 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-] |
| InChIKey | LWUZHUCTXNUEGY-UHFFFAOYSA-N |
Product Overview
Methyl 4-(3-nitrophenyl)sulfonyloxybenzoate (CAS 7254-03-7), with molecular formula C14H11NO7S and molecular weight 337.03 g/mol. IUPAC: methyl 4-(3-nitrophenyl)sulfonyloxybenzoate.
Chemical Property Profile of Methyl 4-(3-nitrophenyl)sulfonyloxybenzoate
Property Insights of Methyl 4-(3-nitrophenyl)sulfonyloxybenzoate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(3-nitrophenyl)sulfonyloxybenzoate. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-(3-nitrophenyl)sulfonyloxybenzoate. Following Lipinski's Rule of Five, Methyl 4-(3-nitrophenyl)sulfonyloxybenzoate has 0 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 4-(3-nitrophenyl)sulfonyloxybenzoate?
The CAS number of Methyl 4-(3-nitrophenyl)sulfonyloxybenzoate is 7254-03-7.
What is the molecular formula of Methyl 4-(3-nitrophenyl)sulfonyloxybenzoate?
The molecular formula of Methyl 4-(3-nitrophenyl)sulfonyloxybenzoate is C14H11NO7S.
What is the molecular weight of Methyl 4-(3-nitrophenyl)sulfonyloxybenzoate?
The molecular weight of Methyl 4-(3-nitrophenyl)sulfonyloxybenzoate is 337.03 g/mol.
Where can I buy Methyl 4-(3-nitrophenyl)sulfonyloxybenzoate?
You can request a quote for Methyl 4-(3-nitrophenyl)sulfonyloxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(3-nitrophenyl)sulfonyloxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(3-nitrophenyl)sulfonyloxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.