2-(1,3,3a,4,5,6,7,7a-Octahydro-2-benzothiophen-2-ium-2-yl)benzene-1,4-diol
TL;DR: 2-(1,3,3a,4,5,6,7,7a-Octahydro-2-benzothiophen-2-ium-2-yl)benzene-1,4-diol (CAS 5006-93-9) is a chemical compound with molecular formula C14H19O2S+ and molecular weight 251.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3,3a,4,5,6,7,7a-octahydro-2-benzothiophen-2-ium-2-yl)benzene-1,4-diol
Also Known As: BAS 00390590, 2-octahydro-1H-2-benzothien-2-yl-1,4-benzenediol, 2-(1,3,3a,4,5,6,7,7a-octahydro-2-benzothiophen-2-ium-2-yl)benzene-1,4-diol, 2-(2,5-Dihydroxy-phenyl)-octahydro-benzo[c]thiophenium, 2-(2,5-Dihydroxyphenyl)octahydro-2-benzothiophen-2-ium
| Molecular Formula | C14H19O2S+ |
|---|---|
| Molecular Weight | 251.11 g/mol |
| LogP | 2.895 |
| Topological Polar Surface Area | 40.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 251.11058 |
| Heavy Atoms | 17 |
| Complexity | 404.6833 |
Chemical Identifiers
| CAS Number | 5006-93-9 |
|---|---|
| SMILES | C1CCC2C[S+](CC2C1)C3=C(C=CC(=C3)O)O |
Product Overview
2-(1,3,3a,4,5,6,7,7a-Octahydro-2-benzothiophen-2-ium-2-yl)benzene-1,4-diol (CAS 5006-93-9), with molecular formula C14H19O2S+ and molecular weight 251.11 g/mol. IUPAC: 2-(1,3,3a,4,5,6,7,7a-octahydro-2-benzothiophen-2-ium-2-yl)benzene-1,4-diol.
Chemical Property Profile of 2-(1,3,3a,4,5,6,7,7a-Octahydro-2-benzothiophen-2-ium-2-yl)benzene-1,4-diol
Property Insights of 2-(1,3,3a,4,5,6,7,7a-Octahydro-2-benzothiophen-2-ium-2-yl)benzene-1,4-diol
The XLogP value of 2.895 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,3,3a,4,5,6,7,7a-Octahydro-2-benzothiophen-2-ium-2-yl)benzene-1,4-diol. With a topological polar surface area (TPSA) of 40.46 Ų, 2-(1,3,3a,4,5,6,7,7a-Octahydro-2-benzothiophen-2-ium-2-yl)benzene-1,4-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1,3,3a,4,5,6,7,7a-Octahydro-2-benzothiophen-2-ium-2-yl)benzene-1,4-diol 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 2-(1,3,3a,4,5,6,7,7a-Octahydro-2-benzothiophen-2-ium-2-yl)benzene-1,4-diol?
The CAS number of 2-(1,3,3a,4,5,6,7,7a-Octahydro-2-benzothiophen-2-ium-2-yl)benzene-1,4-diol is 5006-93-9.
What is the molecular formula of 2-(1,3,3a,4,5,6,7,7a-Octahydro-2-benzothiophen-2-ium-2-yl)benzene-1,4-diol?
The molecular formula of 2-(1,3,3a,4,5,6,7,7a-Octahydro-2-benzothiophen-2-ium-2-yl)benzene-1,4-diol is C14H19O2S+.
What is the molecular weight of 2-(1,3,3a,4,5,6,7,7a-Octahydro-2-benzothiophen-2-ium-2-yl)benzene-1,4-diol?
The molecular weight of 2-(1,3,3a,4,5,6,7,7a-Octahydro-2-benzothiophen-2-ium-2-yl)benzene-1,4-diol is 251.11 g/mol.
Where can I buy 2-(1,3,3a,4,5,6,7,7a-Octahydro-2-benzothiophen-2-ium-2-yl)benzene-1,4-diol?
You can request a quote for 2-(1,3,3a,4,5,6,7,7a-Octahydro-2-benzothiophen-2-ium-2-yl)benzene-1,4-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3,3a,4,5,6,7,7a-Octahydro-2-benzothiophen-2-ium-2-yl)benzene-1,4-diol?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3,3a,4,5,6,7,7a-Octahydro-2-benzothiophen-2-ium-2-yl)benzene-1,4-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.