![(4-Pentylbicyclo[2.2.2]oct-1-yl)methyl 4-methylbenzenesulfonate structure](/static/products/814/81472-47-1.png)
(4-Pentylbicyclo[2.2.2]oct-1-yl)methyl 4-methylbenzenesulfonate
TL;DR: (4-Pentylbicyclo[2.2.2]oct-1-yl)methyl 4-methylbenzenesulfonate (CAS 81472-47-1) is a chemical compound with molecular formula C21H32O3S and molecular weight 364.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-pentyl-1-bicyclo[2.2.2]octanyl)methyl 4-methylbenzenesulfonate
Also Known As: AA-516/30054003, (4-pentylbicyclo[2.2.2]oct-1-yl)methyl 4-methylbenzenesulfonate, (1-pentyl-4-bicyclo[2.2.2]octanyl)methyl 4-methylbenzenesulfonate, (4-pentyl-1-bicyclo[2.2.2]octanyl)methyl 4-methylbenzenesulfonate, (4-Pentylbicyclo[2.2.2]octan-1-yl)methyl 4-methylbenzenesulfonate
| Molecular Formula | C21H32O3S |
|---|---|
| Molecular Weight | 364.21 g/mol |
| LogP | 5.62122 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 364.2072 |
| Heavy Atoms | 25 |
| Complexity | 651.0683 |
Chemical Identifiers
| CAS Number | 81472-47-1 |
|---|---|
| SMILES | CCCCCC12CCC(CC1)(CC2)COS(=O)(=O)C3=CC=C(C=C3)C |
Product Overview
(4-Pentylbicyclo[2.2.2]oct-1-yl)methyl 4-methylbenzenesulfonate (CAS 81472-47-1), with molecular formula C21H32O3S and molecular weight 364.21 g/mol. IUPAC: (4-pentyl-1-bicyclo[2.2.2]octanyl)methyl 4-methylbenzenesulfonate.
Chemical Property Profile of (4-Pentylbicyclo[2.2.2]oct-1-yl)methyl 4-methylbenzenesulfonate
Property Insights of (4-Pentylbicyclo[2.2.2]oct-1-yl)methyl 4-methylbenzenesulfonate
The XLogP value of 5.62122 indicates that (4-Pentylbicyclo[2.2.2]oct-1-yl)methyl 4-methylbenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, (4-Pentylbicyclo[2.2.2]oct-1-yl)methyl 4-methylbenzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Pentylbicyclo[2.2.2]oct-1-yl)methyl 4-methylbenzenesulfonate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (4-Pentylbicyclo[2.2.2]oct-1-yl)methyl 4-methylbenzenesulfonate?
The CAS number of (4-Pentylbicyclo[2.2.2]oct-1-yl)methyl 4-methylbenzenesulfonate is 81472-47-1.
What is the molecular formula of (4-Pentylbicyclo[2.2.2]oct-1-yl)methyl 4-methylbenzenesulfonate?
The molecular formula of (4-Pentylbicyclo[2.2.2]oct-1-yl)methyl 4-methylbenzenesulfonate is C21H32O3S.
What is the molecular weight of (4-Pentylbicyclo[2.2.2]oct-1-yl)methyl 4-methylbenzenesulfonate?
The molecular weight of (4-Pentylbicyclo[2.2.2]oct-1-yl)methyl 4-methylbenzenesulfonate is 364.21 g/mol.
Where can I buy (4-Pentylbicyclo[2.2.2]oct-1-yl)methyl 4-methylbenzenesulfonate?
You can request a quote for (4-Pentylbicyclo[2.2.2]oct-1-yl)methyl 4-methylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Pentylbicyclo[2.2.2]oct-1-yl)methyl 4-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for (4-Pentylbicyclo[2.2.2]oct-1-yl)methyl 4-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.