4-Isopropylphenyl 2,4,6-trimethylbenzenesulfonate
TL;DR: 4-Isopropylphenyl 2,4,6-trimethylbenzenesulfonate (CAS 321580-00-1) is a chemical compound with molecular formula C18H22O3S and molecular weight 318.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-propan-2-ylphenyl) 2,4,6-trimethylbenzenesulfonate
Also Known As: 4-isopropylphenyl 2,4,6-trimethylbenzenesulfonate, 4-(propan-2-yl)phenyl 2,4,6-trimethylbenzene-1-sulfonate, (4-propan-2-ylphenyl) 2,4,6-trimethylbenzenesulfonate, F0378-0056
| Molecular Formula | C18H22O3S |
|---|---|
| Molecular Weight | 318.13 g/mol |
| LogP | 4.50296 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 318.12897 |
| Heavy Atoms | 22 |
| Complexity | 749.47473 |
Chemical Identifiers
| CAS Number | 321580-00-1 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)S(=O)(=O)OC2=CC=C(C=C2)C(C)C)C |
Product Overview
4-Isopropylphenyl 2,4,6-trimethylbenzenesulfonate (CAS 321580-00-1), with molecular formula C18H22O3S and molecular weight 318.13 g/mol. IUPAC: (4-propan-2-ylphenyl) 2,4,6-trimethylbenzenesulfonate.
Chemical Property Profile of 4-Isopropylphenyl 2,4,6-trimethylbenzenesulfonate
Property Insights of 4-Isopropylphenyl 2,4,6-trimethylbenzenesulfonate
The XLogP value of 4.50296 indicates that 4-Isopropylphenyl 2,4,6-trimethylbenzenesulfonate 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-Isopropylphenyl 2,4,6-trimethylbenzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Isopropylphenyl 2,4,6-trimethylbenzenesulfonate 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-Isopropylphenyl 2,4,6-trimethylbenzenesulfonate?
The CAS number of 4-Isopropylphenyl 2,4,6-trimethylbenzenesulfonate is 321580-00-1.
What is the molecular formula of 4-Isopropylphenyl 2,4,6-trimethylbenzenesulfonate?
The molecular formula of 4-Isopropylphenyl 2,4,6-trimethylbenzenesulfonate is C18H22O3S.
What is the molecular weight of 4-Isopropylphenyl 2,4,6-trimethylbenzenesulfonate?
The molecular weight of 4-Isopropylphenyl 2,4,6-trimethylbenzenesulfonate is 318.13 g/mol.
Where can I buy 4-Isopropylphenyl 2,4,6-trimethylbenzenesulfonate?
You can request a quote for 4-Isopropylphenyl 2,4,6-trimethylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Isopropylphenyl 2,4,6-trimethylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 4-Isopropylphenyl 2,4,6-trimethylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.