Methyl 2-octylsulfinylacetate
TL;DR: Methyl 2-octylsulfinylacetate (CAS 221158-33-4) is a chemical compound with molecular formula C11H22O3S and molecular weight 234.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-octylsulfinylacetate
Also Known As: Methyl 3-SulfInylundecanoate, methyl 2-octylsulfinylacetate, methyl 2-(octane-1-sulfinyl)acetate, (Octylsulfinyl)acetic acid methyl ester, Acetic acid, 2-(octylsulfinyl)-, methyl ester
| Molecular Formula | C11H22O3S |
|---|---|
| Molecular Weight | 234.13 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 234.12897 |
| Heavy Atoms | 15 |
| Complexity | 192.0 |
Chemical Identifiers
| CAS Number | 221158-33-4 |
|---|---|
| SMILES | CCCCCCCCS(=O)CC(=O)OC |
| InChIKey | ABALKWOJYYSGDF-UHFFFAOYSA-N |
Product Overview
Methyl 2-octylsulfinylacetate (CAS 221158-33-4), with molecular formula C11H22O3S and molecular weight 234.13 g/mol. IUPAC: methyl 2-octylsulfinylacetate.
Chemical Property Profile of Methyl 2-octylsulfinylacetate
Property Insights of Methyl 2-octylsulfinylacetate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-octylsulfinylacetate. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-octylsulfinylacetate. Following Lipinski's Rule of Five, Methyl 2-octylsulfinylacetate 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 Methyl 2-octylsulfinylacetate?
The CAS number of Methyl 2-octylsulfinylacetate is 221158-33-4.
What is the molecular formula of Methyl 2-octylsulfinylacetate?
The molecular formula of Methyl 2-octylsulfinylacetate is C11H22O3S.
What is the molecular weight of Methyl 2-octylsulfinylacetate?
The molecular weight of Methyl 2-octylsulfinylacetate is 234.13 g/mol.
Where can I buy Methyl 2-octylsulfinylacetate?
You can request a quote for Methyl 2-octylsulfinylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-octylsulfinylacetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-octylsulfinylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.