Cyclohexyl 4-methylbenzenesulfinate
TL;DR: Cyclohexyl 4-methylbenzenesulfinate (CAS 23826-77-9) is a chemical compound with molecular formula C13H18O2S and molecular weight 238.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclohexyl 4-methylbenzenesulfinate
Also Known As: cyclohexyl 4-methylbenzenesulfinate, cyclohexyl 4-methylbenzene-1-sulfinate, p-Toluolsulfinsaeure-cyclohexylester, p-Toluenesulfinic acid cyclohexyl ester, 4-Methylbenzenesulfinic acid cyclohexyl ester
| Molecular Formula | C13H18O2S |
|---|---|
| Molecular Weight | 238.10 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 45.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 238.10275 |
| Heavy Atoms | 16 |
| Complexity | 228.0 |
Chemical Identifiers
| CAS Number | 23826-77-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)OC2CCCCC2 |
| InChIKey | VKFPIMGZISHRBX-UHFFFAOYSA-N |
Product Overview
Cyclohexyl 4-methylbenzenesulfinate (CAS 23826-77-9), with molecular formula C13H18O2S and molecular weight 238.10 g/mol. IUPAC: cyclohexyl 4-methylbenzenesulfinate.
Chemical Property Profile of Cyclohexyl 4-methylbenzenesulfinate
Property Insights of Cyclohexyl 4-methylbenzenesulfinate
The XLogP value of 3.6 indicates that Cyclohexyl 4-methylbenzenesulfinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.5 Ų, Cyclohexyl 4-methylbenzenesulfinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexyl 4-methylbenzenesulfinate has 0 hydrogen bond donor(s) and 3 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 Cyclohexyl 4-methylbenzenesulfinate?
The CAS number of Cyclohexyl 4-methylbenzenesulfinate is 23826-77-9.
What is the molecular formula of Cyclohexyl 4-methylbenzenesulfinate?
The molecular formula of Cyclohexyl 4-methylbenzenesulfinate is C13H18O2S.
What is the molecular weight of Cyclohexyl 4-methylbenzenesulfinate?
The molecular weight of Cyclohexyl 4-methylbenzenesulfinate is 238.10 g/mol.
Where can I buy Cyclohexyl 4-methylbenzenesulfinate?
You can request a quote for Cyclohexyl 4-methylbenzenesulfinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexyl 4-methylbenzenesulfinate?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexyl 4-methylbenzenesulfinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.