3-Cyclohexyloxypropyl toluene-4-sulphonate
TL;DR: 3-Cyclohexyloxypropyl toluene-4-sulphonate (CAS 857277-86-2) is a chemical compound with molecular formula C16H24O4S and molecular weight 312.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-cyclohexyloxypropyl 4-methylbenzenesulfonate
Also Known As: 3-cyclohexyloxypropyl toluene-4-sulphonate, 3-(Cyclohexyloxy)propyl 4-methylbenzenesulfonate, 3-(cyclohexyloxy)propyl 4-methylbenzene-1-sulfonate, 3-cyclohexyloxypropyl 4-methylbenzenesulfonate, 1-(3-cyclohexyloxypropoxysulfonyl)-4-methyl-benzene
| Molecular Formula | C16H24O4S |
|---|---|
| Molecular Weight | 312.14 g/mol |
| LogP | 3.43972 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 312.13953 |
| Heavy Atoms | 21 |
| Complexity | 515.7129 |
Chemical Identifiers
| CAS Number | 857277-86-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCCCOC2CCCCC2 |
Product Overview
3-Cyclohexyloxypropyl toluene-4-sulphonate (CAS 857277-86-2), with molecular formula C16H24O4S and molecular weight 312.14 g/mol. IUPAC: 3-cyclohexyloxypropyl 4-methylbenzenesulfonate.
Chemical Property Profile of 3-Cyclohexyloxypropyl toluene-4-sulphonate
Property Insights of 3-Cyclohexyloxypropyl toluene-4-sulphonate
The XLogP value of 3.43972 indicates that 3-Cyclohexyloxypropyl toluene-4-sulphonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 3-Cyclohexyloxypropyl toluene-4-sulphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Cyclohexyloxypropyl toluene-4-sulphonate 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 3-Cyclohexyloxypropyl toluene-4-sulphonate?
The CAS number of 3-Cyclohexyloxypropyl toluene-4-sulphonate is 857277-86-2.
What is the molecular formula of 3-Cyclohexyloxypropyl toluene-4-sulphonate?
The molecular formula of 3-Cyclohexyloxypropyl toluene-4-sulphonate is C16H24O4S.
What is the molecular weight of 3-Cyclohexyloxypropyl toluene-4-sulphonate?
The molecular weight of 3-Cyclohexyloxypropyl toluene-4-sulphonate is 312.14 g/mol.
Where can I buy 3-Cyclohexyloxypropyl toluene-4-sulphonate?
You can request a quote for 3-Cyclohexyloxypropyl toluene-4-sulphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Cyclohexyloxypropyl toluene-4-sulphonate?
Yes, KEHONG BIO provides custom synthesis services for 3-Cyclohexyloxypropyl toluene-4-sulphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.