Menthyl 3-(2-pyridylsulfinyl)acrylate
TL;DR: Menthyl 3-(2-pyridylsulfinyl)acrylate (CAS 105802-70-8) is a chemical compound with molecular formula C18H25NO3S and molecular weight 335.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] (Z)-3-[(S)-pyridin-2-ylsulfinyl]prop-2-enoate
Also Known As: Men-psa, Menthyl 3-(2-pyridylsulfinyl)acrylate, [(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] (Z)-3-[(S)-pyridin-2-ylsulfinyl]prop-2-enoate, 4-(4-Diethylaminostyryl)-1-methylpyridinium iodide,4-Di-2-ASP, (5-methyl-2-propan-2-ylcyclohexyl) 3-pyridin-2-ylsulfinylprop-2-enoate
| Molecular Formula | C18H25NO3S |
|---|---|
| Molecular Weight | 335.16 g/mol |
| LogP | 3.7069 |
| Topological Polar Surface Area | 56.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 335.15552 |
| Heavy Atoms | 23 |
| Complexity | 570.8892 |
Chemical Identifiers
| CAS Number | 105802-70-8 |
|---|---|
| SMILES | C[C@H]1CC[C@@H]([C@@H](C1)OC(=O)/C=C\[S@](=O)C2=CC=CC=N2)C(C)C |
Product Overview
Menthyl 3-(2-pyridylsulfinyl)acrylate (CAS 105802-70-8), with molecular formula C18H25NO3S and molecular weight 335.16 g/mol. IUPAC: [(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] (Z)-3-[(S)-pyridin-2-ylsulfinyl]prop-2-enoate.
Chemical Property Profile of Menthyl 3-(2-pyridylsulfinyl)acrylate
Property Insights of Menthyl 3-(2-pyridylsulfinyl)acrylate
The XLogP value of 3.7069 indicates that Menthyl 3-(2-pyridylsulfinyl)acrylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.26 Ų, Menthyl 3-(2-pyridylsulfinyl)acrylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Menthyl 3-(2-pyridylsulfinyl)acrylate has 0 hydrogen bond donor(s) and 4 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 Menthyl 3-(2-pyridylsulfinyl)acrylate?
The CAS number of Menthyl 3-(2-pyridylsulfinyl)acrylate is 105802-70-8.
What is the molecular formula of Menthyl 3-(2-pyridylsulfinyl)acrylate?
The molecular formula of Menthyl 3-(2-pyridylsulfinyl)acrylate is C18H25NO3S.
What is the molecular weight of Menthyl 3-(2-pyridylsulfinyl)acrylate?
The molecular weight of Menthyl 3-(2-pyridylsulfinyl)acrylate is 335.16 g/mol.
Where can I buy Menthyl 3-(2-pyridylsulfinyl)acrylate?
You can request a quote for Menthyl 3-(2-pyridylsulfinyl)acrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Menthyl 3-(2-pyridylsulfinyl)acrylate?
Yes, KEHONG BIO provides custom synthesis services for Menthyl 3-(2-pyridylsulfinyl)acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.