异丁基对甲苯基亚砜
TL;DR: 异丁基对甲苯基亚砜 (CAS 77919-66-5) is a chemical compound with molecular formula C11H16OS and molecular weight 196.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
异丁基对甲苯基亚砜
1-methyl-4-(2-methylpropylsulfinyl)benzene
Also Known As: Isobutyl-p-methylphenyl sulfoxide, 1-(isobutylsulfinyl)-4-methylbenzene, 1-methyl-4-[(2-methylpropyl)sulfinyl]benzene, 1-methyl-4-(2-methylpropylsulfinyl)benzene, 1-Methyl-4-(2-methylpropane-1-sulfinyl)benzene
| Molecular Formula | C11H16OS |
|---|---|
| Molecular Weight | 196.09 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 36.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 196.0922 |
| Heavy Atoms | 13 |
| Complexity | 169.0 |
Chemical Identifiers
| CAS Number | 77919-66-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)CC(C)C |
| InChIKey | UUTSHQRWCJKXFT-UHFFFAOYSA-N |
Product Overview
异丁基对甲苯基亚砜 (CAS 77919-66-5), with molecular formula C11H16OS and molecular weight 196.09 g/mol. IUPAC: 1-methyl-4-(2-methylpropylsulfinyl)benzene.
Chemical Property Profile of 异丁基对甲苯基亚砜
Property Insights of 异丁基对甲苯基亚砜
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 异丁基对甲苯基亚砜. With a topological polar surface area (TPSA) of 36.3 Ų, 异丁基对甲苯基亚砜 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 异丁基对甲苯基亚砜 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 异丁基对甲苯基亚砜?
The CAS number of 异丁基对甲苯基亚砜 is 77919-66-5.
What is the molecular formula of 异丁基对甲苯基亚砜?
The molecular formula of 异丁基对甲苯基亚砜 is C11H16OS.
What is the molecular weight of 异丁基对甲苯基亚砜?
The molecular weight of 异丁基对甲苯基亚砜 is 196.09 g/mol.
Where can I buy 异丁基对甲苯基亚砜?
You can request a quote for 异丁基对甲苯基亚砜 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 异丁基对甲苯基亚砜?
Yes, KEHONG BIO provides custom synthesis services for 异丁基对甲苯基亚砜 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.