(1R,2S,5R)-(-)-Menthyl (S)-p-toluenesulfinate
TL;DR: (1R,2S,5R)-(-)-Menthyl (S)-p-toluenesulfinate (CAS 951894-27-2) is a chemical compound with molecular formula C17H26O2S and molecular weight 294.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-methyl-2-propan-2-ylcyclohexyl) 4-methylbenzenesulfinate
Also Known As: tri-butyl orthoformate, menthyl p-toluenesulfinate, (1R,2S,5R)-(-)-Menthyl (S)-p-toluenesulfinate, (1S,2R,5S)-(+)-Menthyl (R)-p-toluenesulfinate, p-Methylbenzenesulfinic acid p-menthyl ester
| Molecular Formula | C17H26O2S |
|---|---|
| Molecular Weight | 294.17 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 45.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 294.16534 |
| Heavy Atoms | 20 |
| Complexity | 321.0 |
Chemical Identifiers
| CAS Number | 951894-27-2 |
|---|---|
| SMILES | CC1CCC(C(C1)OS(=O)C2=CC=C(C=C2)C)C(C)C |
| InChIKey | NQICGNSARVCSGJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(1R,2S,5R)-(-)-Menthyl (S)-p-toluenesulfinate (CAS 951894-27-2), with molecular formula C17H26O2S and molecular weight 294.17 g/mol. IUPAC: (5-methyl-2-propan-2-ylcyclohexyl) 4-methylbenzenesulfinate.
Chemical Property Profile of (1R,2S,5R)-(-)-Menthyl (S)-p-toluenesulfinate
Property Insights of (1R,2S,5R)-(-)-Menthyl (S)-p-toluenesulfinate
The XLogP value of 5.3 indicates that (1R,2S,5R)-(-)-Menthyl (S)-p-toluenesulfinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.5 Ų, (1R,2S,5R)-(-)-Menthyl (S)-p-toluenesulfinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1R,2S,5R)-(-)-Menthyl (S)-p-toluenesulfinate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (1R,2S,5R)-(-)-Menthyl (S)-p-toluenesulfinate?
The CAS number of (1R,2S,5R)-(-)-Menthyl (S)-p-toluenesulfinate is 951894-27-2.
What is the molecular formula of (1R,2S,5R)-(-)-Menthyl (S)-p-toluenesulfinate?
The molecular formula of (1R,2S,5R)-(-)-Menthyl (S)-p-toluenesulfinate is C17H26O2S.
What is the molecular weight of (1R,2S,5R)-(-)-Menthyl (S)-p-toluenesulfinate?
The molecular weight of (1R,2S,5R)-(-)-Menthyl (S)-p-toluenesulfinate is 294.17 g/mol.
Where can I buy (1R,2S,5R)-(-)-Menthyl (S)-p-toluenesulfinate?
You can request a quote for (1R,2S,5R)-(-)-Menthyl (S)-p-toluenesulfinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1R,2S,5R)-(-)-Menthyl (S)-p-toluenesulfinate?
Yes, KEHONG BIO provides custom synthesis services for (1R,2S,5R)-(-)-Menthyl (S)-p-toluenesulfinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.