Methyl 5-iodo-2-((mesitylsulfonyl)oxy)benzenecarboxylate
TL;DR: Methyl 5-iodo-2-((mesitylsulfonyl)oxy)benzenecarboxylate (CAS 256521-67-2) is a chemical compound with molecular formula C17H17IO5S and molecular weight 459.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-iodo-2-(2,4,6-trimethylphenyl)sulfonyloxybenzoate
Also Known As: Methyl 5-iodo-2-((mesitylsulfonyl)oxy)benzenecarboxylate, methyl 5-iodo-2-(2,4,6-trimethylphenyl)sulfonyloxybenzoate, methyl 5-iodo-2-[(2,4,6-trimethylbenzenesulfonyl)oxy]benzoate, methyl 5-iodo-2-[(mesitylsulfonyl)oxy]benzenecarboxylate, Methyl 5-iodo-2-(2,4,6-trimethylphenyl)sulfonyloxy-benzoate
| Molecular Formula | C17H17IO5S |
|---|---|
| Molecular Weight | 459.98 g/mol |
| LogP | 3.77076 |
| Topological Polar Surface Area | 69.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 459.98413 |
| Heavy Atoms | 24 |
| Complexity | 880.1872 |
Chemical Identifiers
| CAS Number | 256521-67-2 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)S(=O)(=O)OC2=C(C=C(C=C2)I)C(=O)OC)C |
Product Overview
Methyl 5-iodo-2-((mesitylsulfonyl)oxy)benzenecarboxylate (CAS 256521-67-2), with molecular formula C17H17IO5S and molecular weight 459.98 g/mol. IUPAC: methyl 5-iodo-2-(2,4,6-trimethylphenyl)sulfonyloxybenzoate.
Chemical Property Profile of Methyl 5-iodo-2-((mesitylsulfonyl)oxy)benzenecarboxylate
Property Insights of Methyl 5-iodo-2-((mesitylsulfonyl)oxy)benzenecarboxylate
The XLogP value of 3.77076 indicates that Methyl 5-iodo-2-((mesitylsulfonyl)oxy)benzenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.67 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 5-iodo-2-((mesitylsulfonyl)oxy)benzenecarboxylate. Following Lipinski's Rule of Five, Methyl 5-iodo-2-((mesitylsulfonyl)oxy)benzenecarboxylate has 0 hydrogen bond donor(s) and 5 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 5-iodo-2-((mesitylsulfonyl)oxy)benzenecarboxylate?
The CAS number of Methyl 5-iodo-2-((mesitylsulfonyl)oxy)benzenecarboxylate is 256521-67-2.
What is the molecular formula of Methyl 5-iodo-2-((mesitylsulfonyl)oxy)benzenecarboxylate?
The molecular formula of Methyl 5-iodo-2-((mesitylsulfonyl)oxy)benzenecarboxylate is C17H17IO5S.
What is the molecular weight of Methyl 5-iodo-2-((mesitylsulfonyl)oxy)benzenecarboxylate?
The molecular weight of Methyl 5-iodo-2-((mesitylsulfonyl)oxy)benzenecarboxylate is 459.98 g/mol.
Where can I buy Methyl 5-iodo-2-((mesitylsulfonyl)oxy)benzenecarboxylate?
You can request a quote for Methyl 5-iodo-2-((mesitylsulfonyl)oxy)benzenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5-iodo-2-((mesitylsulfonyl)oxy)benzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-iodo-2-((mesitylsulfonyl)oxy)benzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.