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Benzene, 1-butyl-4-[(1,1-dimethylethyl)sulfonyl]-
TL;DR: Benzene, 1-butyl-4-[(1,1-dimethylethyl)sulfonyl]- (CAS 60891-79-4) is a chemical compound with molecular formula C14H22O2S and molecular weight 254.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butyl-4-tert-butylsulfonylbenzene
Also Known As: t-Butyl-4-n-butylphenylsulfon, 1-butyl-4-tert-butylsulfonylbenzene, t-butyl 4-n-butylphenyl sulfone, Benzene, 1-butyl-4-[(1,1-dimethylethyl)sulfonyl]-, 1-Butyl-4-(tert-butylsulfonyl)benzene
| Molecular Formula | C14H22O2S |
|---|---|
| Molecular Weight | 254.13 g/mol |
| LogP | 3.6014 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 254.13405 |
| Heavy Atoms | 17 |
| Complexity | 449.99072 |
Chemical Identifiers
| CAS Number | 60891-79-4 |
|---|---|
| SMILES | CCCCC1=CC=C(C=C1)S(=O)(=O)C(C)(C)C |
Product Overview
Benzene, 1-butyl-4-[(1,1-dimethylethyl)sulfonyl]- (CAS 60891-79-4), with molecular formula C14H22O2S and molecular weight 254.13 g/mol. IUPAC: 1-butyl-4-tert-butylsulfonylbenzene.
Chemical Property Profile of Benzene, 1-butyl-4-[(1,1-dimethylethyl)sulfonyl]-
Property Insights of Benzene, 1-butyl-4-[(1,1-dimethylethyl)sulfonyl]-
The XLogP value of 3.6014 indicates that Benzene, 1-butyl-4-[(1,1-dimethylethyl)sulfonyl]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.14 Ų, Benzene, 1-butyl-4-[(1,1-dimethylethyl)sulfonyl]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1-butyl-4-[(1,1-dimethylethyl)sulfonyl]- has 0 hydrogen bond donor(s) and 2 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-butyl-4-[(1,1-dimethylethyl)sulfonyl]-?
The CAS number of Benzene, 1-butyl-4-[(1,1-dimethylethyl)sulfonyl]- is 60891-79-4.
What is the molecular formula of Benzene, 1-butyl-4-[(1,1-dimethylethyl)sulfonyl]-?
The molecular formula of Benzene, 1-butyl-4-[(1,1-dimethylethyl)sulfonyl]- is C14H22O2S.
What is the molecular weight of Benzene, 1-butyl-4-[(1,1-dimethylethyl)sulfonyl]-?
The molecular weight of Benzene, 1-butyl-4-[(1,1-dimethylethyl)sulfonyl]- is 254.13 g/mol.
Where can I buy Benzene, 1-butyl-4-[(1,1-dimethylethyl)sulfonyl]-?
You can request a quote for Benzene, 1-butyl-4-[(1,1-dimethylethyl)sulfonyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1-butyl-4-[(1,1-dimethylethyl)sulfonyl]-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-butyl-4-[(1,1-dimethylethyl)sulfonyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.