Methyl 3,5-bis(methylsulphonyl)benzoate
TL;DR: Methyl 3,5-bis(methylsulphonyl)benzoate (CAS 849946-68-5) is a chemical compound with molecular formula C10H12O6S2 and molecular weight 292.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3,5-bis(methylsulfonyl)benzoate
Also Known As: Methyl 3,5-bis(methylsulphonyl)benzoate, methyl 3,5-dimethanesulfonylbenzoate, methyl 3,5-bis(methylsulfonyl)benzoate
| Molecular Formula | C10H12O6S2 |
|---|---|
| Molecular Weight | 292.01 g/mol |
| LogP | 0.2802 |
| Topological Polar Surface Area | 94.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 292.00754 |
| Heavy Atoms | 18 |
| Complexity | 634.8281 |
Chemical Identifiers
| CAS Number | 849946-68-5 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC(=C1)S(=O)(=O)C)S(=O)(=O)C |
Product Overview
Methyl 3,5-bis(methylsulphonyl)benzoate (CAS 849946-68-5), with molecular formula C10H12O6S2 and molecular weight 292.01 g/mol. IUPAC: methyl 3,5-bis(methylsulfonyl)benzoate.
Chemical Property Profile of Methyl 3,5-bis(methylsulphonyl)benzoate
Property Insights of Methyl 3,5-bis(methylsulphonyl)benzoate
The XLogP value of 0.2802 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3,5-bis(methylsulphonyl)benzoate. The TPSA of 94.58 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3,5-bis(methylsulphonyl)benzoate. Following Lipinski's Rule of Five, Methyl 3,5-bis(methylsulphonyl)benzoate 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 3,5-bis(methylsulphonyl)benzoate?
The CAS number of Methyl 3,5-bis(methylsulphonyl)benzoate is 849946-68-5.
What is the molecular formula of Methyl 3,5-bis(methylsulphonyl)benzoate?
The molecular formula of Methyl 3,5-bis(methylsulphonyl)benzoate is C10H12O6S2.
What is the molecular weight of Methyl 3,5-bis(methylsulphonyl)benzoate?
The molecular weight of Methyl 3,5-bis(methylsulphonyl)benzoate is 292.01 g/mol.
Where can I buy Methyl 3,5-bis(methylsulphonyl)benzoate?
You can request a quote for Methyl 3,5-bis(methylsulphonyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3,5-bis(methylsulphonyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3,5-bis(methylsulphonyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.