4-甲氧基苯磺酸甲酯
TL;DR: 4-甲氧基苯磺酸甲酯 (CAS 6214-19-3) is a chemical compound with molecular formula C8H10O4S and molecular weight 202.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-甲氧基苯磺酸甲酯
methyl 4-methoxybenzenesulfonate
Also Known As: Methyl 4-methoxybenzenesulfonate, Benzenesulfonic acid, 4-methoxy-, methyl ester, methyl p-methoxybenzenesulfonate, methyl 4-methoxybenzene-1-sulfonate, 4-methoxyphenyl methyl sulphonate
| Molecular Formula | C8H10O4S |
|---|---|
| Molecular Weight | 202.03 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 61.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 202.02998 |
| Heavy Atoms | 13 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 6214-19-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)S(=O)(=O)OC |
| InChIKey | IQEHSUZNQISVKO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-甲氧基苯磺酸甲酯 (CAS 6214-19-3), with molecular formula C8H10O4S and molecular weight 202.03 g/mol. IUPAC: methyl 4-methoxybenzenesulfonate.
Chemical Property Profile of 4-甲氧基苯磺酸甲酯
Property Insights of 4-甲氧基苯磺酸甲酯
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-甲氧基苯磺酸甲酯. The TPSA of 61.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-甲氧基苯磺酸甲酯. Following Lipinski's Rule of Five, 4-甲氧基苯磺酸甲酯 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-甲氧基苯磺酸甲酯?
The CAS number of 4-甲氧基苯磺酸甲酯 is 6214-19-3.
What is the molecular formula of 4-甲氧基苯磺酸甲酯?
The molecular formula of 4-甲氧基苯磺酸甲酯 is C8H10O4S.
What is the molecular weight of 4-甲氧基苯磺酸甲酯?
The molecular weight of 4-甲氧基苯磺酸甲酯 is 202.03 g/mol.
Where can I buy 4-甲氧基苯磺酸甲酯?
You can request a quote for 4-甲氧基苯磺酸甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-甲氧基苯磺酸甲酯?
Yes, KEHONG BIO provides custom synthesis services for 4-甲氧基苯磺酸甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.