![[1-(Hydroxymethyl)-4-bicyclo[2.2.2]octanyl]methyl 4-methylbenzenesulfonate structure](/static/products/898/898-81-7.png)
[1-(Hydroxymethyl)-4-bicyclo[2.2.2]octanyl]methyl 4-methylbenzenesulfonate
TL;DR: [1-(Hydroxymethyl)-4-bicyclo[2.2.2]octanyl]methyl 4-methylbenzenesulfonate (CAS 898-81-7) is a chemical compound with molecular formula C17H24O4S and molecular weight 324.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(hydroxymethyl)-1-bicyclo[2.2.2]octanyl]methyl 4-methylbenzenesulfonate
Also Known As: [1-(hydroxymethyl)-4-bicyclo[2.2.2]octanyl]methyl 4-methylbenzenesulfonate|[1-(hydroxymethyl)-4-bicyclo[2.2.2]octanyl]methyl 4-methylbe|[4-(Hydroxymethyl)bicyclo[2.2.2]octan-1-yl]methyl 4-methylbenzene-1-sulfonate
| Molecular Formula | C17H24O4S |
|---|---|
| Molecular Weight | 324.14 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 72.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 324.13953 |
| Heavy Atoms | 22 |
| Complexity | 461.0 |
Chemical Identifiers
| CAS Number | 898-81-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCC23CCC(CC2)(CC3)CO |
| InChIKey | AYKPBDHJKFUINK-UHFFFAOYSA-N |
Product Overview
[1-(Hydroxymethyl)-4-bicyclo[2.2.2]octanyl]methyl 4-methylbenzenesulfonate (CAS 898-81-7), with molecular formula C17H24O4S and molecular weight 324.14 g/mol. IUPAC: [4-(hydroxymethyl)-1-bicyclo[2.2.2]octanyl]methyl 4-methylbenzenesulfonate.
Chemical Property Profile of [1-(Hydroxymethyl)-4-bicyclo[2.2.2]octanyl]methyl 4-methylbenzenesulfonate
Property Insights of [1-(Hydroxymethyl)-4-bicyclo[2.2.2]octanyl]methyl 4-methylbenzenesulfonate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [1-(Hydroxymethyl)-4-bicyclo[2.2.2]octanyl]methyl 4-methylbenzenesulfonate. The TPSA of 72.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [1-(Hydroxymethyl)-4-bicyclo[2.2.2]octanyl]methyl 4-methylbenzenesulfonate. Following Lipinski's Rule of Five, [1-(Hydroxymethyl)-4-bicyclo[2.2.2]octanyl]methyl 4-methylbenzenesulfonate has 1 hydrogen bond donor(s) and 4 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-(Hydroxymethyl)-4-bicyclo[2.2.2]octanyl]methyl 4-methylbenzenesulfonate?
The CAS number of [1-(Hydroxymethyl)-4-bicyclo[2.2.2]octanyl]methyl 4-methylbenzenesulfonate is 898-81-7.
What is the molecular formula of [1-(Hydroxymethyl)-4-bicyclo[2.2.2]octanyl]methyl 4-methylbenzenesulfonate?
The molecular formula of [1-(Hydroxymethyl)-4-bicyclo[2.2.2]octanyl]methyl 4-methylbenzenesulfonate is C17H24O4S.
What is the molecular weight of [1-(Hydroxymethyl)-4-bicyclo[2.2.2]octanyl]methyl 4-methylbenzenesulfonate?
The molecular weight of [1-(Hydroxymethyl)-4-bicyclo[2.2.2]octanyl]methyl 4-methylbenzenesulfonate is 324.14 g/mol.
Where can I buy [1-(Hydroxymethyl)-4-bicyclo[2.2.2]octanyl]methyl 4-methylbenzenesulfonate?
You can request a quote for [1-(Hydroxymethyl)-4-bicyclo[2.2.2]octanyl]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 [1-(Hydroxymethyl)-4-bicyclo[2.2.2]octanyl]methyl 4-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for [1-(Hydroxymethyl)-4-bicyclo[2.2.2]octanyl]methyl 4-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.