Benzenepropanol, 2,5-dimethoxy-, 1-(4-methylbenzenesulfonate)
TL;DR: Benzenepropanol, 2,5-dimethoxy-, 1-(4-methylbenzenesulfonate) (CAS 72018-07-6) 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.
3-(2,5-dimethoxyphenyl)propyl 4-methylbenzenesulfonate
Also Known As: 3-(2,5-Dimethoxyphenyl)propyl p-toluenesulfonate, Benzenepropanol, 2,5-dimethoxy-, 4-methylbenzenesulfonate, Benzenepropanol, 2,5-dimethoxy-, 1-(4-methylbenzenesulfonate), 2,5-Dimethoxyphenylpropyl-4-toluene sulfonate, 3-(2,5-dimethoxyphenyl)propyl 4-methylbenzenesulfonate
| Molecular Formula | C18H22O5S |
|---|---|
| Molecular Weight | 350.12 g/mol |
| LogP | 3.35032 |
| Topological Polar Surface Area | 61.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 350.1188 |
| Heavy Atoms | 24 |
| Complexity | 766.49615 |
Chemical Identifiers
| CAS Number | 72018-07-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCCCC2=C(C=CC(=C2)OC)OC |
Product Overview
Benzenepropanol, 2,5-dimethoxy-, 1-(4-methylbenzenesulfonate) (CAS 72018-07-6), with molecular formula C18H22O5S and molecular weight 350.12 g/mol. IUPAC: 3-(2,5-dimethoxyphenyl)propyl 4-methylbenzenesulfonate.
Chemical Property Profile of Benzenepropanol, 2,5-dimethoxy-, 1-(4-methylbenzenesulfonate)
Property Insights of Benzenepropanol, 2,5-dimethoxy-, 1-(4-methylbenzenesulfonate)
The XLogP value of 3.35032 indicates that Benzenepropanol, 2,5-dimethoxy-, 1-(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 Benzenepropanol, 2,5-dimethoxy-, 1-(4-methylbenzenesulfonate). Following Lipinski's Rule of Five, Benzenepropanol, 2,5-dimethoxy-, 1-(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 Benzenepropanol, 2,5-dimethoxy-, 1-(4-methylbenzenesulfonate)?
The CAS number of Benzenepropanol, 2,5-dimethoxy-, 1-(4-methylbenzenesulfonate) is 72018-07-6.
What is the molecular formula of Benzenepropanol, 2,5-dimethoxy-, 1-(4-methylbenzenesulfonate)?
The molecular formula of Benzenepropanol, 2,5-dimethoxy-, 1-(4-methylbenzenesulfonate) is C18H22O5S.
What is the molecular weight of Benzenepropanol, 2,5-dimethoxy-, 1-(4-methylbenzenesulfonate)?
The molecular weight of Benzenepropanol, 2,5-dimethoxy-, 1-(4-methylbenzenesulfonate) is 350.12 g/mol.
Where can I buy Benzenepropanol, 2,5-dimethoxy-, 1-(4-methylbenzenesulfonate)?
You can request a quote for Benzenepropanol, 2,5-dimethoxy-, 1-(4-methylbenzenesulfonate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenepropanol, 2,5-dimethoxy-, 1-(4-methylbenzenesulfonate)?
Yes, KEHONG BIO provides custom synthesis services for Benzenepropanol, 2,5-dimethoxy-, 1-(4-methylbenzenesulfonate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.