![6-Benzyl-8-thiabicyclo[3.2.1]oct-6-ene 8,8-dioxide structure](/static/products/6160/61604-54-4.webp)
6-Benzyl-8-thiabicyclo[3.2.1]oct-6-ene 8,8-dioxide
TL;DR: 6-Benzyl-8-thiabicyclo[3.2.1]oct-6-ene 8,8-dioxide (CAS 61604-54-4) is a chemical compound with molecular formula C14H16O2S and molecular weight 248.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-benzyl-8λ6-thiabicyclo[3.2.1]oct-6-ene 8,8-dioxide
Also Known As: 6-benzyl-8, 6-benzyl-8-thiabicyclo[3.2.1]oct-6-ene 8,8-dioxide, AE-562/12222028, 6-benzyl-8lambda6-thiabicyclo[3.2.1]oct-6-ene 8,8-dioxide, 8-Thiabicyclo[3.2.1]oct-6-ene, 6-(phenylmethyl)-, 8,8-dioxide
| Molecular Formula | C14H16O2S |
|---|---|
| Molecular Weight | 248.09 g/mol |
| LogP | 2.505 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 248.0871 |
| Heavy Atoms | 17 |
| Complexity | 542.8448 |
Chemical Identifiers
| CAS Number | 61604-54-4 |
|---|---|
| SMILES | C1CC2C=C(C(C1)S2(=O)=O)CC3=CC=CC=C3 |
Product Overview
6-Benzyl-8-thiabicyclo[3.2.1]oct-6-ene 8,8-dioxide (CAS 61604-54-4), with molecular formula C14H16O2S and molecular weight 248.09 g/mol. IUPAC: 6-benzyl-8λ6-thiabicyclo[3.2.1]oct-6-ene 8,8-dioxide.
Chemical Property Profile of 6-Benzyl-8-thiabicyclo[3.2.1]oct-6-ene 8,8-dioxide
Property Insights of 6-Benzyl-8-thiabicyclo[3.2.1]oct-6-ene 8,8-dioxide
The XLogP value of 2.505 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Benzyl-8-thiabicyclo[3.2.1]oct-6-ene 8,8-dioxide. With a topological polar surface area (TPSA) of 34.14 Ų, 6-Benzyl-8-thiabicyclo[3.2.1]oct-6-ene 8,8-dioxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Benzyl-8-thiabicyclo[3.2.1]oct-6-ene 8,8-dioxide has 0 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 6-Benzyl-8-thiabicyclo[3.2.1]oct-6-ene 8,8-dioxide?
The CAS number of 6-Benzyl-8-thiabicyclo[3.2.1]oct-6-ene 8,8-dioxide is 61604-54-4.
What is the molecular formula of 6-Benzyl-8-thiabicyclo[3.2.1]oct-6-ene 8,8-dioxide?
The molecular formula of 6-Benzyl-8-thiabicyclo[3.2.1]oct-6-ene 8,8-dioxide is C14H16O2S.
What is the molecular weight of 6-Benzyl-8-thiabicyclo[3.2.1]oct-6-ene 8,8-dioxide?
The molecular weight of 6-Benzyl-8-thiabicyclo[3.2.1]oct-6-ene 8,8-dioxide is 248.09 g/mol.
Where can I buy 6-Benzyl-8-thiabicyclo[3.2.1]oct-6-ene 8,8-dioxide?
You can request a quote for 6-Benzyl-8-thiabicyclo[3.2.1]oct-6-ene 8,8-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Benzyl-8-thiabicyclo[3.2.1]oct-6-ene 8,8-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 6-Benzyl-8-thiabicyclo[3.2.1]oct-6-ene 8,8-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.