![1-Methyl-4-{[6-(4-methylbenzene-1-sulfinyl)hexa-2,4-diyn-1-yl]sulfanyl}benzene structure](/static/products/880/88018-57-9.png)
1-Methyl-4-{[6-(4-methylbenzene-1-sulfinyl)hexa-2,4-diyn-1-yl]sulfanyl}benzene
TL;DR: 1-Methyl-4-{[6-(4-methylbenzene-1-sulfinyl)hexa-2,4-diyn-1-yl]sulfanyl}benzene (CAS 88018-57-9) is a chemical compound with molecular formula C20H18OS2 and molecular weight 338.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-4-[6-(4-methylphenyl)sulfinylhexa-2,4-diynylsulfanyl]benzene
Also Known As: 1-methyl-4-[6-(4-methylphenyl)sulfinylhexa-2,4-diynylsulfany, 1-Methyl-4-{[6-(4-methylbenzene-1-sulfinyl)hexa-2,4-diyn-1-yl]sulfanyl}benzene, 1-methyl-4-[6-(4-methylphenyl)sulfinylhexa-2,4-diynylsulfanyl]benzene
| Molecular Formula | C20H18OS2 |
|---|---|
| Molecular Weight | 338.08 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 61.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 338.0799 |
| Heavy Atoms | 23 |
| Complexity | 511.0 |
Chemical Identifiers
| CAS Number | 88018-57-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SCC#CC#CCS(=O)C2=CC=C(C=C2)C |
| InChIKey | KOOKUTBPOUQZNH-UHFFFAOYSA-N |
Product Overview
1-Methyl-4-{[6-(4-methylbenzene-1-sulfinyl)hexa-2,4-diyn-1-yl]sulfanyl}benzene (CAS 88018-57-9), with molecular formula C20H18OS2 and molecular weight 338.08 g/mol. IUPAC: 1-methyl-4-[6-(4-methylphenyl)sulfinylhexa-2,4-diynylsulfanyl]benzene.
Chemical Property Profile of 1-Methyl-4-{[6-(4-methylbenzene-1-sulfinyl)hexa-2,4-diyn-1-yl]sulfanyl}benzene
Property Insights of 1-Methyl-4-{[6-(4-methylbenzene-1-sulfinyl)hexa-2,4-diyn-1-yl]sulfanyl}benzene
The XLogP value of 4.5 indicates that 1-Methyl-4-{[6-(4-methylbenzene-1-sulfinyl)hexa-2,4-diyn-1-yl]sulfanyl}benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methyl-4-{[6-(4-methylbenzene-1-sulfinyl)hexa-2,4-diyn-1-yl]sulfanyl}benzene. Following Lipinski's Rule of Five, 1-Methyl-4-{[6-(4-methylbenzene-1-sulfinyl)hexa-2,4-diyn-1-yl]sulfanyl}benzene 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 1-Methyl-4-{[6-(4-methylbenzene-1-sulfinyl)hexa-2,4-diyn-1-yl]sulfanyl}benzene?
The CAS number of 1-Methyl-4-{[6-(4-methylbenzene-1-sulfinyl)hexa-2,4-diyn-1-yl]sulfanyl}benzene is 88018-57-9.
What is the molecular formula of 1-Methyl-4-{[6-(4-methylbenzene-1-sulfinyl)hexa-2,4-diyn-1-yl]sulfanyl}benzene?
The molecular formula of 1-Methyl-4-{[6-(4-methylbenzene-1-sulfinyl)hexa-2,4-diyn-1-yl]sulfanyl}benzene is C20H18OS2.
What is the molecular weight of 1-Methyl-4-{[6-(4-methylbenzene-1-sulfinyl)hexa-2,4-diyn-1-yl]sulfanyl}benzene?
The molecular weight of 1-Methyl-4-{[6-(4-methylbenzene-1-sulfinyl)hexa-2,4-diyn-1-yl]sulfanyl}benzene is 338.08 g/mol.
Where can I buy 1-Methyl-4-{[6-(4-methylbenzene-1-sulfinyl)hexa-2,4-diyn-1-yl]sulfanyl}benzene?
You can request a quote for 1-Methyl-4-{[6-(4-methylbenzene-1-sulfinyl)hexa-2,4-diyn-1-yl]sulfanyl}benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-4-{[6-(4-methylbenzene-1-sulfinyl)hexa-2,4-diyn-1-yl]sulfanyl}benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-4-{[6-(4-methylbenzene-1-sulfinyl)hexa-2,4-diyn-1-yl]sulfanyl}benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.