4-环己基苯基硫酸酯
TL;DR: 4-环己基苯基硫酸酯 (CAS 20711-00-6) is a chemical compound with molecular formula C12H16O4S and molecular weight 256.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-环己基苯基硫酸酯
(4-cyclohexylphenyl) hydrogen sulfate
Also Known As: 4-Cyclohexylphenyl sulfate, 4-cyclohexylphenyl hydrogen sulfate, (4-cyclohexylphenyl) hydrogen sulfate, Phenol, 4-cyclohexyl-, hydrogen sulfate, RefChem:98674
| Molecular Formula | C12H16O4S |
|---|---|
| Molecular Weight | 256.08 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 72.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 256.07693 |
| Heavy Atoms | 17 |
| Complexity | 319.0 |
Chemical Identifiers
| CAS Number | 20711-00-6 |
|---|---|
| SMILES | C1CCC(CC1)C2=CC=C(C=C2)OS(=O)(=O)O |
| InChIKey | AXQUTPDPWHECKP-UHFFFAOYSA-N |
Product Overview
4-环己基苯基硫酸酯 (CAS 20711-00-6), with molecular formula C12H16O4S and molecular weight 256.08 g/mol. IUPAC: (4-cyclohexylphenyl) hydrogen sulfate.
Chemical Property Profile of 4-环己基苯基硫酸酯
Property Insights of 4-环己基苯基硫酸酯
The XLogP value of 3.6 indicates that 4-环己基苯基硫酸酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-环己基苯基硫酸酯. Following Lipinski's Rule of Five, 4-环己基苯基硫酸酯 has 1 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 4-环己基苯基硫酸酯?
The CAS number of 4-环己基苯基硫酸酯 is 20711-00-6.
What is the molecular formula of 4-环己基苯基硫酸酯?
The molecular formula of 4-环己基苯基硫酸酯 is C12H16O4S.
What is the molecular weight of 4-环己基苯基硫酸酯?
The molecular weight of 4-环己基苯基硫酸酯 is 256.08 g/mol.
Where can I buy 4-环己基苯基硫酸酯?
You can request a quote for 4-环己基苯基硫酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-环己基苯基硫酸酯?
Yes, KEHONG BIO provides custom synthesis services for 4-环己基苯基硫酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.