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Methyl 2-[(4-methylbenzenesulfonyl)oxy]-3-phenylpropanoate
TL;DR: Methyl 2-[(4-methylbenzenesulfonyl)oxy]-3-phenylpropanoate (CAS 203124-95-2) is a chemical compound with molecular formula C17H18O5S and molecular weight 334.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(4-methylphenyl)sulfonyloxy-3-phenylpropanoate
Also Known As: methyl 2-[(4-methylbenzenesulfonyl)oxy]-3-phenylpropanoate, methyl 2-(4-methylphenyl)sulfonyloxy-3-phenylpropanoate, Benzenepropanoic acid, .alpha.-(p-tolenesulfonyloxy)-, methyl ester, Methyl 2-([(4-methylphenyl)sulfonyl]oxy)-3-phenylpropanoate #
| Molecular Formula | C17H18O5S |
|---|---|
| Molecular Weight | 334.09 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 78.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 334.0875 |
| Heavy Atoms | 23 |
| Complexity | 468.0 |
Chemical Identifiers
| CAS Number | 203124-95-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC(CC2=CC=CC=C2)C(=O)OC |
| InChIKey | ZEEKHFTYFLFSQV-UHFFFAOYSA-N |
Product Overview
Methyl 2-[(4-methylbenzenesulfonyl)oxy]-3-phenylpropanoate (CAS 203124-95-2), with molecular formula C17H18O5S and molecular weight 334.09 g/mol. IUPAC: methyl 2-(4-methylphenyl)sulfonyloxy-3-phenylpropanoate.
Chemical Property Profile of Methyl 2-[(4-methylbenzenesulfonyl)oxy]-3-phenylpropanoate
Property Insights of Methyl 2-[(4-methylbenzenesulfonyl)oxy]-3-phenylpropanoate
The XLogP value of 3.5 indicates that Methyl 2-[(4-methylbenzenesulfonyl)oxy]-3-phenylpropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-[(4-methylbenzenesulfonyl)oxy]-3-phenylpropanoate. Following Lipinski's Rule of Five, Methyl 2-[(4-methylbenzenesulfonyl)oxy]-3-phenylpropanoate 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 2-[(4-methylbenzenesulfonyl)oxy]-3-phenylpropanoate?
The CAS number of Methyl 2-[(4-methylbenzenesulfonyl)oxy]-3-phenylpropanoate is 203124-95-2.
What is the molecular formula of Methyl 2-[(4-methylbenzenesulfonyl)oxy]-3-phenylpropanoate?
The molecular formula of Methyl 2-[(4-methylbenzenesulfonyl)oxy]-3-phenylpropanoate is C17H18O5S.
What is the molecular weight of Methyl 2-[(4-methylbenzenesulfonyl)oxy]-3-phenylpropanoate?
The molecular weight of Methyl 2-[(4-methylbenzenesulfonyl)oxy]-3-phenylpropanoate is 334.09 g/mol.
Where can I buy Methyl 2-[(4-methylbenzenesulfonyl)oxy]-3-phenylpropanoate?
You can request a quote for Methyl 2-[(4-methylbenzenesulfonyl)oxy]-3-phenylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-[(4-methylbenzenesulfonyl)oxy]-3-phenylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[(4-methylbenzenesulfonyl)oxy]-3-phenylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.