4-Methoxyphenyl 5-isopropyl-2-methoxy-4-methylbenzenesulfonate
TL;DR: 4-Methoxyphenyl 5-isopropyl-2-methoxy-4-methylbenzenesulfonate (CAS 425666-20-2) is a chemical compound with molecular formula C18H22O5S and molecular weight 350.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methoxyphenyl) 2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonate
Also Known As: 4-methoxyphenyl 5-isopropyl-2-methoxy-4-methylbenzenesulfonate, AS-871/14196373, (4-methoxyphenyl) 2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonate, 4-methoxyphenyl 2-methoxy-4-methyl-5-(methylethyl)benzenesulfonate, 4-methoxyphenyl 2-methoxy-4-methyl-5-(propan-2-yl)benzenesulfonate
| Molecular Formula | C18H22O5S |
|---|---|
| Molecular Weight | 350.12 g/mol |
| LogP | 3.90332 |
| Topological Polar Surface Area | 61.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 350.1188 |
| Heavy Atoms | 24 |
| Complexity | 808.0479 |
Chemical Identifiers
| CAS Number | 425666-20-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1C(C)C)S(=O)(=O)OC2=CC=C(C=C2)OC)OC |
Product Overview
4-Methoxyphenyl 5-isopropyl-2-methoxy-4-methylbenzenesulfonate (CAS 425666-20-2), with molecular formula C18H22O5S and molecular weight 350.12 g/mol. IUPAC: (4-methoxyphenyl) 2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonate.
Chemical Property Profile of 4-Methoxyphenyl 5-isopropyl-2-methoxy-4-methylbenzenesulfonate
Property Insights of 4-Methoxyphenyl 5-isopropyl-2-methoxy-4-methylbenzenesulfonate
The XLogP value of 3.90332 indicates that 4-Methoxyphenyl 5-isopropyl-2-methoxy-4-methylbenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methoxyphenyl 5-isopropyl-2-methoxy-4-methylbenzenesulfonate. Following Lipinski's Rule of Five, 4-Methoxyphenyl 5-isopropyl-2-methoxy-4-methylbenzenesulfonate has 0 hydrogen bond donor(s) and 5 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-Methoxyphenyl 5-isopropyl-2-methoxy-4-methylbenzenesulfonate?
The CAS number of 4-Methoxyphenyl 5-isopropyl-2-methoxy-4-methylbenzenesulfonate is 425666-20-2.
What is the molecular formula of 4-Methoxyphenyl 5-isopropyl-2-methoxy-4-methylbenzenesulfonate?
The molecular formula of 4-Methoxyphenyl 5-isopropyl-2-methoxy-4-methylbenzenesulfonate is C18H22O5S.
What is the molecular weight of 4-Methoxyphenyl 5-isopropyl-2-methoxy-4-methylbenzenesulfonate?
The molecular weight of 4-Methoxyphenyl 5-isopropyl-2-methoxy-4-methylbenzenesulfonate is 350.12 g/mol.
Where can I buy 4-Methoxyphenyl 5-isopropyl-2-methoxy-4-methylbenzenesulfonate?
You can request a quote for 4-Methoxyphenyl 5-isopropyl-2-methoxy-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-Methoxyphenyl 5-isopropyl-2-methoxy-4-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 4-Methoxyphenyl 5-isopropyl-2-methoxy-4-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.