Methyl 2-(acetyloxy)-2-(methylsulfanyl)-3-phenylheptanoate
TL;DR: Methyl 2-(acetyloxy)-2-(methylsulfanyl)-3-phenylheptanoate (CAS 63608-59-3) is a chemical compound with molecular formula C17H24O4S and molecular weight 324.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-acetyloxy-2-methylsulfanyl-3-phenylheptanoate
Also Known As: Methyl 2-(acetyloxy)-2-(methylsulfanyl)-3-phenylheptanoate, methyl 2-acetyloxy-2-methylsulfanyl-3-phenylheptanoate, alpha-Acetyloxy-beta-butyl-alpha-(methylthio)benzenepropionic acid methyl ester, Methyl 2-(acetyloxy)-2-(methylsulfanyl)-3-phenylheptanoate #, Benzenepropanoic acid, .alpha.-(acetyloxy)-.beta.-butyl-.alpha.-(methylthio)-, methyl ester
| Molecular Formula | C17H24O4S |
|---|---|
| Molecular Weight | 324.14 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 77.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 324.13953 |
| Heavy Atoms | 22 |
| Complexity | 366.0 |
Chemical Identifiers
| CAS Number | 63608-59-3 |
|---|---|
| SMILES | CCCCC(C1=CC=CC=C1)C(C(=O)OC)(OC(=O)C)SC |
| InChIKey | VFGPBORZWRSCSZ-UHFFFAOYSA-N |
Product Overview
Methyl 2-(acetyloxy)-2-(methylsulfanyl)-3-phenylheptanoate (CAS 63608-59-3), with molecular formula C17H24O4S and molecular weight 324.14 g/mol. IUPAC: methyl 2-acetyloxy-2-methylsulfanyl-3-phenylheptanoate.
Chemical Property Profile of Methyl 2-(acetyloxy)-2-(methylsulfanyl)-3-phenylheptanoate
Property Insights of Methyl 2-(acetyloxy)-2-(methylsulfanyl)-3-phenylheptanoate
The XLogP value of 4.4 indicates that Methyl 2-(acetyloxy)-2-(methylsulfanyl)-3-phenylheptanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(acetyloxy)-2-(methylsulfanyl)-3-phenylheptanoate. Following Lipinski's Rule of Five, Methyl 2-(acetyloxy)-2-(methylsulfanyl)-3-phenylheptanoate 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-(acetyloxy)-2-(methylsulfanyl)-3-phenylheptanoate?
The CAS number of Methyl 2-(acetyloxy)-2-(methylsulfanyl)-3-phenylheptanoate is 63608-59-3.
What is the molecular formula of Methyl 2-(acetyloxy)-2-(methylsulfanyl)-3-phenylheptanoate?
The molecular formula of Methyl 2-(acetyloxy)-2-(methylsulfanyl)-3-phenylheptanoate is C17H24O4S.
What is the molecular weight of Methyl 2-(acetyloxy)-2-(methylsulfanyl)-3-phenylheptanoate?
The molecular weight of Methyl 2-(acetyloxy)-2-(methylsulfanyl)-3-phenylheptanoate is 324.14 g/mol.
Where can I buy Methyl 2-(acetyloxy)-2-(methylsulfanyl)-3-phenylheptanoate?
You can request a quote for Methyl 2-(acetyloxy)-2-(methylsulfanyl)-3-phenylheptanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(acetyloxy)-2-(methylsulfanyl)-3-phenylheptanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(acetyloxy)-2-(methylsulfanyl)-3-phenylheptanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.