Methyl 2-octylsulfonylacetate
TL;DR: Methyl 2-octylsulfonylacetate (CAS 221119-53-5) is a chemical compound with molecular formula C11H22O4S and molecular weight 250.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-octylsulfonylacetate
Also Known As: Methyl 3-Sulfonylundecanoate, methyl 2-octylsulfonylacetate, methyl n-octanesulphonylacetate, methyl 2-(octane-1-sulfonyl)acetate, (Octylsulfonyl)acetic acid methyl ester
| Molecular Formula | C11H22O4S |
|---|---|
| Molecular Weight | 250.12 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 68.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 250.12389 |
| Heavy Atoms | 16 |
| Complexity | 277.0 |
Chemical Identifiers
| CAS Number | 221119-53-5 |
|---|---|
| SMILES | CCCCCCCCS(=O)(=O)CC(=O)OC |
| InChIKey | ZOXCSWUECJEDLS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-octylsulfonylacetate (CAS 221119-53-5), with molecular formula C11H22O4S and molecular weight 250.12 g/mol. IUPAC: methyl 2-octylsulfonylacetate.
Chemical Property Profile of Methyl 2-octylsulfonylacetate
Property Insights of Methyl 2-octylsulfonylacetate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-octylsulfonylacetate. The TPSA of 68.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-octylsulfonylacetate. Following Lipinski's Rule of Five, Methyl 2-octylsulfonylacetate 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-octylsulfonylacetate?
The CAS number of Methyl 2-octylsulfonylacetate is 221119-53-5.
What is the molecular formula of Methyl 2-octylsulfonylacetate?
The molecular formula of Methyl 2-octylsulfonylacetate is C11H22O4S.
What is the molecular weight of Methyl 2-octylsulfonylacetate?
The molecular weight of Methyl 2-octylsulfonylacetate is 250.12 g/mol.
Where can I buy Methyl 2-octylsulfonylacetate?
You can request a quote for Methyl 2-octylsulfonylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-octylsulfonylacetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-octylsulfonylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.