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Benzene, [(hexylsulfinyl)methyl]-
TL;DR: Benzene, [(hexylsulfinyl)methyl]- (CAS 2168-99-2) is a chemical compound with molecular formula C13H20OS and molecular weight 224.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexylsulfinylmethylbenzene
Also Known As: hexylbenzyl sulfoxide, Benzylhexyl sulfoxide, hexylsulfinylmethylbenzene, hexyl benzyl sulfoxide, Benzene, [(hexylsulfinyl)methyl]-
| Molecular Formula | C13H20OS |
|---|---|
| Molecular Weight | 224.12 g/mol |
| LogP | 3.5156 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 7 |
| Exact Mass | 224.12349 |
| Heavy Atoms | 15 |
| Complexity | 281.84723 |
Chemical Identifiers
| CAS Number | 2168-99-2 |
|---|---|
| SMILES | CCCCCCS(=O)CC1=CC=CC=C1 |
Product Overview
Benzene, [(hexylsulfinyl)methyl]- (CAS 2168-99-2), with molecular formula C13H20OS and molecular weight 224.12 g/mol. IUPAC: hexylsulfinylmethylbenzene.
Chemical Property Profile of Benzene, [(hexylsulfinyl)methyl]-
Property Insights of Benzene, [(hexylsulfinyl)methyl]-
The XLogP value of 3.5156 indicates that Benzene, [(hexylsulfinyl)methyl]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, Benzene, [(hexylsulfinyl)methyl]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, [(hexylsulfinyl)methyl]- has 0 hydrogen bond donor(s) and 1 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, [(hexylsulfinyl)methyl]-?
The CAS number of Benzene, [(hexylsulfinyl)methyl]- is 2168-99-2.
What is the molecular formula of Benzene, [(hexylsulfinyl)methyl]-?
The molecular formula of Benzene, [(hexylsulfinyl)methyl]- is C13H20OS.
What is the molecular weight of Benzene, [(hexylsulfinyl)methyl]-?
The molecular weight of Benzene, [(hexylsulfinyl)methyl]- is 224.12 g/mol.
Where can I buy Benzene, [(hexylsulfinyl)methyl]-?
You can request a quote for Benzene, [(hexylsulfinyl)methyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, [(hexylsulfinyl)methyl]-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, [(hexylsulfinyl)methyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.