4-Toluenesulfonic acid 4-azulylethyl ester
TL;DR: 4-Toluenesulfonic acid 4-azulylethyl ester (CAS 26154-63-2) is a chemical compound with molecular formula C19H18O3S and molecular weight 326.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-azulen-4-ylethyl 4-methylbenzenesulfonate
Also Known As: 4-Toluenesulfonic acid 4-azulylethyl ester, 4-Azuleneethanol, p-toluenesulfonate, 4-Azuleneethanol, 4-methylbenzenesulfonate, 2-azulen-4-ylethyl 4-methylbenzenesulfonate, 4-[2-(4-methylphenyl)sulfonyloxyethyl]azulene
| Molecular Formula | C19H18O3S |
|---|---|
| Molecular Weight | 326.10 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 326.09766 |
| Heavy Atoms | 23 |
| Complexity | 459.0 |
Chemical Identifiers
| CAS Number | 26154-63-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCCC2=CC=CC=C3C2=CC=C3 |
| InChIKey | INMMWFDWWQDEBX-UHFFFAOYSA-N |
Product Overview
4-Toluenesulfonic acid 4-azulylethyl ester (CAS 26154-63-2), with molecular formula C19H18O3S and molecular weight 326.10 g/mol. IUPAC: 2-azulen-4-ylethyl 4-methylbenzenesulfonate.
Chemical Property Profile of 4-Toluenesulfonic acid 4-azulylethyl ester
Property Insights of 4-Toluenesulfonic acid 4-azulylethyl ester
The XLogP value of 4.5 indicates that 4-Toluenesulfonic acid 4-azulylethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, 4-Toluenesulfonic acid 4-azulylethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Toluenesulfonic acid 4-azulylethyl ester 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 4-Toluenesulfonic acid 4-azulylethyl ester?
The CAS number of 4-Toluenesulfonic acid 4-azulylethyl ester is 26154-63-2.
What is the molecular formula of 4-Toluenesulfonic acid 4-azulylethyl ester?
The molecular formula of 4-Toluenesulfonic acid 4-azulylethyl ester is C19H18O3S.
What is the molecular weight of 4-Toluenesulfonic acid 4-azulylethyl ester?
The molecular weight of 4-Toluenesulfonic acid 4-azulylethyl ester is 326.10 g/mol.
Where can I buy 4-Toluenesulfonic acid 4-azulylethyl ester?
You can request a quote for 4-Toluenesulfonic acid 4-azulylethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Toluenesulfonic acid 4-azulylethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-Toluenesulfonic acid 4-azulylethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.