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Methyl 3-[(mesitylsulfonyl)oxy]-4-nitrobenzenecarboxylate
TL;DR: Methyl 3-[(mesitylsulfonyl)oxy]-4-nitrobenzenecarboxylate (CAS 297150-08-4) is a chemical compound with molecular formula C17H17NO7S and molecular weight 379.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-nitro-3-(2,4,6-trimethylphenyl)sulfonyloxybenzoate
Also Known As: methyl 4-nitro-3-[(mesitylsulfonyl)oxy]benzoate, methyl 3-[(mesitylsulfonyl)oxy]-4-nitrobenzenecarboxylate, methyl 4-nitro-3-(2,4,6-trimethylphenyl)sulfonyloxybenzoate, AA-768/33245049, methyl 4-nitro-3-[(2,4,6-trimethylbenzenesulfonyl)oxy]benzoate
| Molecular Formula | C17H17NO7S |
|---|---|
| Molecular Weight | 379.07 g/mol |
| LogP | 3.07436 |
| Topological Polar Surface Area | 112.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 379.07257 |
| Heavy Atoms | 26 |
| Complexity | 973.16125 |
Chemical Identifiers
| CAS Number | 297150-08-4 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)S(=O)(=O)OC2=C(C=CC(=C2)C(=O)OC)[N+](=O)[O-])C |
Product Overview
Methyl 3-[(mesitylsulfonyl)oxy]-4-nitrobenzenecarboxylate (CAS 297150-08-4), with molecular formula C17H17NO7S and molecular weight 379.07 g/mol. IUPAC: methyl 4-nitro-3-(2,4,6-trimethylphenyl)sulfonyloxybenzoate.
Chemical Property Profile of Methyl 3-[(mesitylsulfonyl)oxy]-4-nitrobenzenecarboxylate
Property Insights of Methyl 3-[(mesitylsulfonyl)oxy]-4-nitrobenzenecarboxylate
The XLogP value of 3.07436 indicates that Methyl 3-[(mesitylsulfonyl)oxy]-4-nitrobenzenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.81 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-[(mesitylsulfonyl)oxy]-4-nitrobenzenecarboxylate. Following Lipinski's Rule of Five, Methyl 3-[(mesitylsulfonyl)oxy]-4-nitrobenzenecarboxylate 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 3-[(mesitylsulfonyl)oxy]-4-nitrobenzenecarboxylate?
The CAS number of Methyl 3-[(mesitylsulfonyl)oxy]-4-nitrobenzenecarboxylate is 297150-08-4.
What is the molecular formula of Methyl 3-[(mesitylsulfonyl)oxy]-4-nitrobenzenecarboxylate?
The molecular formula of Methyl 3-[(mesitylsulfonyl)oxy]-4-nitrobenzenecarboxylate is C17H17NO7S.
What is the molecular weight of Methyl 3-[(mesitylsulfonyl)oxy]-4-nitrobenzenecarboxylate?
The molecular weight of Methyl 3-[(mesitylsulfonyl)oxy]-4-nitrobenzenecarboxylate is 379.07 g/mol.
Where can I buy Methyl 3-[(mesitylsulfonyl)oxy]-4-nitrobenzenecarboxylate?
You can request a quote for Methyl 3-[(mesitylsulfonyl)oxy]-4-nitrobenzenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-[(mesitylsulfonyl)oxy]-4-nitrobenzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-[(mesitylsulfonyl)oxy]-4-nitrobenzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.