1-(2,5-dihydroxyphenyl)-4-hexyltetrahydro-2H-thiopyranium
TL;DR: 1-(2,5-dihydroxyphenyl)-4-hexyltetrahydro-2H-thiopyranium (CAS 777014-51-4) is a chemical compound with molecular formula C17H27O2S+ and molecular weight 295.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-hexylthian-1-ium-1-yl)benzene-1,4-diol
Also Known As: BAS 00390581, 1-(2,5-dihydroxyphenyl)-4-hexyltetrahydro-2H-thiopyranium, 1-(2,5-Dihydroxyphenyl)-4-hexylthian-1-ium, 2-(4-hexylthian-1-ium-1-yl)benzene-1,4-diol, AB01334074-02
| Molecular Formula | C17H27O2S+ |
|---|---|
| Molecular Weight | 295.17 g/mol |
| LogP | 4.4554 |
| Topological Polar Surface Area | 40.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 295.1732 |
| Heavy Atoms | 20 |
| Complexity | 411.45108 |
Chemical Identifiers
| CAS Number | 777014-51-4 |
|---|---|
| SMILES | CCCCCCC1CC[S+](CC1)C2=C(C=CC(=C2)O)O |
Product Overview
1-(2,5-dihydroxyphenyl)-4-hexyltetrahydro-2H-thiopyranium (CAS 777014-51-4), with molecular formula C17H27O2S+ and molecular weight 295.17 g/mol. IUPAC: 2-(4-hexylthian-1-ium-1-yl)benzene-1,4-diol.
Chemical Property Profile of 1-(2,5-dihydroxyphenyl)-4-hexyltetrahydro-2H-thiopyranium
Property Insights of 1-(2,5-dihydroxyphenyl)-4-hexyltetrahydro-2H-thiopyranium
The XLogP value of 4.4554 indicates that 1-(2,5-dihydroxyphenyl)-4-hexyltetrahydro-2H-thiopyranium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.46 Ų, 1-(2,5-dihydroxyphenyl)-4-hexyltetrahydro-2H-thiopyranium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2,5-dihydroxyphenyl)-4-hexyltetrahydro-2H-thiopyranium has 2 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 1-(2,5-dihydroxyphenyl)-4-hexyltetrahydro-2H-thiopyranium?
The CAS number of 1-(2,5-dihydroxyphenyl)-4-hexyltetrahydro-2H-thiopyranium is 777014-51-4.
What is the molecular formula of 1-(2,5-dihydroxyphenyl)-4-hexyltetrahydro-2H-thiopyranium?
The molecular formula of 1-(2,5-dihydroxyphenyl)-4-hexyltetrahydro-2H-thiopyranium is C17H27O2S+.
What is the molecular weight of 1-(2,5-dihydroxyphenyl)-4-hexyltetrahydro-2H-thiopyranium?
The molecular weight of 1-(2,5-dihydroxyphenyl)-4-hexyltetrahydro-2H-thiopyranium is 295.17 g/mol.
Where can I buy 1-(2,5-dihydroxyphenyl)-4-hexyltetrahydro-2H-thiopyranium?
You can request a quote for 1-(2,5-dihydroxyphenyl)-4-hexyltetrahydro-2H-thiopyranium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,5-dihydroxyphenyl)-4-hexyltetrahydro-2H-thiopyranium?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,5-dihydroxyphenyl)-4-hexyltetrahydro-2H-thiopyranium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.