4-甲氧基苯磺酸乙酯
TL;DR: 4-甲氧基苯磺酸乙酯 (CAS 25119-45-3) is a chemical compound with molecular formula C9H12O4S and molecular weight 216.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-甲氧基苯磺酸乙酯
ethyl 4-methoxybenzenesulfonate
Also Known As: ethyl 4-methoxybenzenesulfonate, Benzenesulfonic acid, 4-methoxy-, ethyl ester, ethyl 4-methoxybenzene-1-sulfonate, 1-ethoxysulfonyl-4-methoxy-benzene, 4-Methoxy-benzolsulfonsaeure-aethylester
| Molecular Formula | C9H12O4S |
|---|---|
| Molecular Weight | 216.05 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 61.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 216.04562 |
| Heavy Atoms | 14 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 25119-45-3 |
|---|---|
| SMILES | CCOS(=O)(=O)C1=CC=C(C=C1)OC |
| InChIKey | LPOCJNUBBCMEGA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-甲氧基苯磺酸乙酯 (CAS 25119-45-3), with molecular formula C9H12O4S and molecular weight 216.05 g/mol. IUPAC: ethyl 4-methoxybenzenesulfonate.
Chemical Property Profile of 4-甲氧基苯磺酸乙酯
Property Insights of 4-甲氧基苯磺酸乙酯
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-甲氧基苯磺酸乙酯. The TPSA of 61.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-甲氧基苯磺酸乙酯. Following Lipinski's Rule of Five, 4-甲氧基苯磺酸乙酯 has 0 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 4-甲氧基苯磺酸乙酯?
The CAS number of 4-甲氧基苯磺酸乙酯 is 25119-45-3.
What is the molecular formula of 4-甲氧基苯磺酸乙酯?
The molecular formula of 4-甲氧基苯磺酸乙酯 is C9H12O4S.
What is the molecular weight of 4-甲氧基苯磺酸乙酯?
The molecular weight of 4-甲氧基苯磺酸乙酯 is 216.05 g/mol.
Where can I buy 4-甲氧基苯磺酸乙酯?
You can request a quote for 4-甲氧基苯磺酸乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-甲氧基苯磺酸乙酯?
Yes, KEHONG BIO provides custom synthesis services for 4-甲氧基苯磺酸乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.