2-(Methanesulfinyl)-6-(3-methoxyphenyl)-2-methylhexan-3-one
TL;DR: 2-(Methanesulfinyl)-6-(3-methoxyphenyl)-2-methylhexan-3-one (CAS 67617-20-3) is a chemical compound with molecular formula C15H22O3S and molecular weight 282.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(3-methoxyphenyl)-2-methyl-2-methylsulfinylhexan-3-one
Also Known As: 6-(3-methoxyphenyl)-2-methyl-2-methylsulfinylhexan-3-one, 2-(Methanesulfinyl)-6-(3-methoxyphenyl)-2-methylhexan-3-one, 6-(3-methoxyphenyl)-2-methyl-2-methylsulfinyl-hexan-3-one
| Molecular Formula | C15H22O3S |
|---|---|
| Molecular Weight | 282.13 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 282.12897 |
| Heavy Atoms | 19 |
| Complexity | 325.0 |
Chemical Identifiers
| CAS Number | 67617-20-3 |
|---|---|
| SMILES | CC(C)(C(=O)CCCC1=CC(=CC=C1)OC)S(=O)C |
| InChIKey | QNBDCTCSSPBHDM-UHFFFAOYSA-N |
Product Overview
2-(Methanesulfinyl)-6-(3-methoxyphenyl)-2-methylhexan-3-one (CAS 67617-20-3), with molecular formula C15H22O3S and molecular weight 282.13 g/mol. IUPAC: 6-(3-methoxyphenyl)-2-methyl-2-methylsulfinylhexan-3-one.
Chemical Property Profile of 2-(Methanesulfinyl)-6-(3-methoxyphenyl)-2-methylhexan-3-one
Property Insights of 2-(Methanesulfinyl)-6-(3-methoxyphenyl)-2-methylhexan-3-one
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Methanesulfinyl)-6-(3-methoxyphenyl)-2-methylhexan-3-one. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Methanesulfinyl)-6-(3-methoxyphenyl)-2-methylhexan-3-one. Following Lipinski's Rule of Five, 2-(Methanesulfinyl)-6-(3-methoxyphenyl)-2-methylhexan-3-one has 0 hydrogen bond donor(s) and 4 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 2-(Methanesulfinyl)-6-(3-methoxyphenyl)-2-methylhexan-3-one?
The CAS number of 2-(Methanesulfinyl)-6-(3-methoxyphenyl)-2-methylhexan-3-one is 67617-20-3.
What is the molecular formula of 2-(Methanesulfinyl)-6-(3-methoxyphenyl)-2-methylhexan-3-one?
The molecular formula of 2-(Methanesulfinyl)-6-(3-methoxyphenyl)-2-methylhexan-3-one is C15H22O3S.
What is the molecular weight of 2-(Methanesulfinyl)-6-(3-methoxyphenyl)-2-methylhexan-3-one?
The molecular weight of 2-(Methanesulfinyl)-6-(3-methoxyphenyl)-2-methylhexan-3-one is 282.13 g/mol.
Where can I buy 2-(Methanesulfinyl)-6-(3-methoxyphenyl)-2-methylhexan-3-one?
You can request a quote for 2-(Methanesulfinyl)-6-(3-methoxyphenyl)-2-methylhexan-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Methanesulfinyl)-6-(3-methoxyphenyl)-2-methylhexan-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(Methanesulfinyl)-6-(3-methoxyphenyl)-2-methylhexan-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.