![4-tert-Butyl-1-[(phenylsulfanyl)methyl]cyclohexan-1-ol structure](/static/products/5681/56819-78-4.webp)
4-tert-Butyl-1-[(phenylsulfanyl)methyl]cyclohexan-1-ol
TL;DR: 4-tert-Butyl-1-[(phenylsulfanyl)methyl]cyclohexan-1-ol (CAS 56819-78-4) is a chemical compound with molecular formula C17H26OS and molecular weight 278.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-1-(phenylsulfanylmethyl)cyclohexan-1-ol
Also Known As: 4-tert-butyl-1-(phenylsulfanylmethyl)cyclohexan-1-ol, 4-tert-Butyl-1-[(phenylsulfanyl)methyl]cyclohexan-1-ol, 4-tert-butyl-1-[(phenylsulfanyl)methyl]cyclohexanol, 1-(phenylsulfanylmethyl)-4-tert-butyl-cyclohexan-1-ol
| Molecular Formula | C17H26OS |
|---|---|
| Molecular Weight | 278.17 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 45.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 278.17044 |
| Heavy Atoms | 19 |
| Complexity | 267.0 |
Chemical Identifiers
| CAS Number | 56819-78-4 |
|---|---|
| SMILES | CC(C)(C)C1CCC(CC1)(CSC2=CC=CC=C2)O |
| InChIKey | LJECCWCLHGUJGC-UHFFFAOYSA-N |
Product Overview
4-tert-Butyl-1-[(phenylsulfanyl)methyl]cyclohexan-1-ol (CAS 56819-78-4), with molecular formula C17H26OS and molecular weight 278.17 g/mol. IUPAC: 4-tert-butyl-1-(phenylsulfanylmethyl)cyclohexan-1-ol.
Chemical Property Profile of 4-tert-Butyl-1-[(phenylsulfanyl)methyl]cyclohexan-1-ol
Property Insights of 4-tert-Butyl-1-[(phenylsulfanyl)methyl]cyclohexan-1-ol
The XLogP value of 4.8 indicates that 4-tert-Butyl-1-[(phenylsulfanyl)methyl]cyclohexan-1-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.5 Ų, 4-tert-Butyl-1-[(phenylsulfanyl)methyl]cyclohexan-1-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-tert-Butyl-1-[(phenylsulfanyl)methyl]cyclohexan-1-ol has 1 hydrogen bond donor(s) and 2 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-tert-Butyl-1-[(phenylsulfanyl)methyl]cyclohexan-1-ol?
The CAS number of 4-tert-Butyl-1-[(phenylsulfanyl)methyl]cyclohexan-1-ol is 56819-78-4.
What is the molecular formula of 4-tert-Butyl-1-[(phenylsulfanyl)methyl]cyclohexan-1-ol?
The molecular formula of 4-tert-Butyl-1-[(phenylsulfanyl)methyl]cyclohexan-1-ol is C17H26OS.
What is the molecular weight of 4-tert-Butyl-1-[(phenylsulfanyl)methyl]cyclohexan-1-ol?
The molecular weight of 4-tert-Butyl-1-[(phenylsulfanyl)methyl]cyclohexan-1-ol is 278.17 g/mol.
Where can I buy 4-tert-Butyl-1-[(phenylsulfanyl)methyl]cyclohexan-1-ol?
You can request a quote for 4-tert-Butyl-1-[(phenylsulfanyl)methyl]cyclohexan-1-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-tert-Butyl-1-[(phenylsulfanyl)methyl]cyclohexan-1-ol?
Yes, KEHONG BIO provides custom synthesis services for 4-tert-Butyl-1-[(phenylsulfanyl)methyl]cyclohexan-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.