Methyl 5-mesyl-o-anisate
TL;DR: Methyl 5-mesyl-o-anisate (CAS 63484-12-8) is a chemical compound with molecular formula C10H12O5S and molecular weight 244.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-methoxy-5-methylsulfonylbenzoate
Also Known As: Methyl 2-Methoxy-5-(methylsulfonyl)benzoate, Methyl 5-mesyl-o-anisate, methyl 2-methoxy-5-methylsulfonylbenzoate, Tiapride Impurity 5, Tiapride EP Impurity A
| Molecular Formula | C10H12O5S |
|---|---|
| Molecular Weight | 244.04 g/mol |
| LogP | 0.8853 |
| Topological Polar Surface Area | 69.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 244.04054 |
| Heavy Atoms | 16 |
| Complexity | 503.9407 |
Chemical Identifiers
| CAS Number | 63484-12-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OC |
Product Overview
Methyl 5-mesyl-o-anisate (CAS 63484-12-8), with molecular formula C10H12O5S and molecular weight 244.04 g/mol. IUPAC: methyl 2-methoxy-5-methylsulfonylbenzoate.
Chemical Property Profile of Methyl 5-mesyl-o-anisate
Property Insights of Methyl 5-mesyl-o-anisate
The XLogP value of 0.8853 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 5-mesyl-o-anisate. The TPSA of 69.67 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 5-mesyl-o-anisate. Following Lipinski's Rule of Five, Methyl 5-mesyl-o-anisate 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-mesyl-o-anisate?
The CAS number of Methyl 5-mesyl-o-anisate is 63484-12-8.
What is the molecular formula of Methyl 5-mesyl-o-anisate?
The molecular formula of Methyl 5-mesyl-o-anisate is C10H12O5S.
What is the molecular weight of Methyl 5-mesyl-o-anisate?
The molecular weight of Methyl 5-mesyl-o-anisate is 244.04 g/mol.
Where can I buy Methyl 5-mesyl-o-anisate?
You can request a quote for Methyl 5-mesyl-o-anisate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5-mesyl-o-anisate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-mesyl-o-anisate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.