Benzene, 1-methoxy-4-(methylsulfonyl)-
TL;DR: Benzene, 1-methoxy-4-(methylsulfonyl)- (CAS 3517-90-6) is a chemical compound with molecular formula C8H10O3S and molecular weight 186.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methoxy-4-methylsulfonylbenzene
Also Known As: 4-Methylsulfonylanisole, 1-Methoxy-4-(methylsulfonyl)benzene, 4-METHOXYPHENYLMETHYLSULFONE, p-Anisyl methyl sulfone, 1-methoxy-4-methylsulfonylbenzene
| Molecular Formula | C8H10O3S |
|---|---|
| Molecular Weight | 186.04 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 186.03506 |
| Heavy Atoms | 12 |
| Complexity | 219.0 |
Chemical Identifiers
| CAS Number | 3517-90-6 |
|---|---|
| SMILES | COC1=CC=C(C=C1)S(=O)(=O)C |
| InChIKey | KAZUCVUGWMQGMC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 1-methoxy-4-(methylsulfonyl)- (CAS 3517-90-6), with molecular formula C8H10O3S and molecular weight 186.04 g/mol. IUPAC: 1-methoxy-4-methylsulfonylbenzene.
Chemical Property Profile of Benzene, 1-methoxy-4-(methylsulfonyl)-
Property Insights of Benzene, 1-methoxy-4-(methylsulfonyl)-
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzene, 1-methoxy-4-(methylsulfonyl)-. With a topological polar surface area (TPSA) of 51.8 Ų, Benzene, 1-methoxy-4-(methylsulfonyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1-methoxy-4-(methylsulfonyl)- 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 Benzene, 1-methoxy-4-(methylsulfonyl)-?
The CAS number of Benzene, 1-methoxy-4-(methylsulfonyl)- is 3517-90-6.
What is the molecular formula of Benzene, 1-methoxy-4-(methylsulfonyl)-?
The molecular formula of Benzene, 1-methoxy-4-(methylsulfonyl)- is C8H10O3S.
What is the molecular weight of Benzene, 1-methoxy-4-(methylsulfonyl)-?
The molecular weight of Benzene, 1-methoxy-4-(methylsulfonyl)- is 186.04 g/mol.
Where can I buy Benzene, 1-methoxy-4-(methylsulfonyl)-?
You can request a quote for Benzene, 1-methoxy-4-(methylsulfonyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1-methoxy-4-(methylsulfonyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-methoxy-4-(methylsulfonyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.