![3-Bicyclo[2.2.2]octanylmethyl 4-bromobenzenesulfonate structure](/static/products/4050/40500-82-1.webp)
3-Bicyclo[2.2.2]octanylmethyl 4-bromobenzenesulfonate
TL;DR: 3-Bicyclo[2.2.2]octanylmethyl 4-bromobenzenesulfonate (CAS 40500-82-1) is a chemical compound with molecular formula C15H19BrO3S and molecular weight 358.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bicyclo[2.2.2]octanylmethyl 4-bromobenzenesulfonate
Also Known As: 3-bicyclo[2.2.2]octanylmethyl 4-bromobenzenesulfonate, (Bicyclo[2.2.2]octan-2-yl)methyl 4-bromobenzene-1-sulfonate
| Molecular Formula | C15H19BrO3S |
|---|---|
| Molecular Weight | 358.02 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 358.02383 |
| Heavy Atoms | 20 |
| Complexity | 415.0 |
Chemical Identifiers
| CAS Number | 40500-82-1 |
|---|---|
| SMILES | C1CC2CCC1CC2COS(=O)(=O)C3=CC=C(C=C3)Br |
| InChIKey | YACWBNJPMFWCGW-UHFFFAOYSA-N |
Product Overview
3-Bicyclo[2.2.2]octanylmethyl 4-bromobenzenesulfonate (CAS 40500-82-1), with molecular formula C15H19BrO3S and molecular weight 358.02 g/mol. IUPAC: 2-bicyclo[2.2.2]octanylmethyl 4-bromobenzenesulfonate.
Chemical Property Profile of 3-Bicyclo[2.2.2]octanylmethyl 4-bromobenzenesulfonate
Property Insights of 3-Bicyclo[2.2.2]octanylmethyl 4-bromobenzenesulfonate
The XLogP value of 4.7 indicates that 3-Bicyclo[2.2.2]octanylmethyl 4-bromobenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, 3-Bicyclo[2.2.2]octanylmethyl 4-bromobenzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bicyclo[2.2.2]octanylmethyl 4-bromobenzenesulfonate has 0 hydrogen bond donor(s) and 3 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 3-Bicyclo[2.2.2]octanylmethyl 4-bromobenzenesulfonate?
The CAS number of 3-Bicyclo[2.2.2]octanylmethyl 4-bromobenzenesulfonate is 40500-82-1.
What is the molecular formula of 3-Bicyclo[2.2.2]octanylmethyl 4-bromobenzenesulfonate?
The molecular formula of 3-Bicyclo[2.2.2]octanylmethyl 4-bromobenzenesulfonate is C15H19BrO3S.
What is the molecular weight of 3-Bicyclo[2.2.2]octanylmethyl 4-bromobenzenesulfonate?
The molecular weight of 3-Bicyclo[2.2.2]octanylmethyl 4-bromobenzenesulfonate is 358.02 g/mol.
Where can I buy 3-Bicyclo[2.2.2]octanylmethyl 4-bromobenzenesulfonate?
You can request a quote for 3-Bicyclo[2.2.2]octanylmethyl 4-bromobenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bicyclo[2.2.2]octanylmethyl 4-bromobenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 3-Bicyclo[2.2.2]octanylmethyl 4-bromobenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.