2-Octylsulfonylacetic acid
TL;DR: 2-Octylsulfonylacetic acid (CAS 13887-94-0) is a chemical compound with molecular formula C10H20O4S and molecular weight 236.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-octylsulfonylacetic acid
Also Known As: 3-Sulfonylundecanoic acid, 2-octylsulfonylacetic acid, (octylsulfonyl)acetic acid, acetic acid, 2-(octylsulfonyl)-, 2-(octylsulfonyl)acetic acid
| Molecular Formula | C10H20O4S |
|---|---|
| Molecular Weight | 236.11 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 79.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 236.10823 |
| Heavy Atoms | 15 |
| Complexity | 264.0 |
Chemical Identifiers
| CAS Number | 13887-94-0 |
|---|---|
| SMILES | CCCCCCCCS(=O)(=O)CC(=O)O |
| InChIKey | UVRFGGUGGJXONU-UHFFFAOYSA-N |
Product Overview
2-Octylsulfonylacetic acid (CAS 13887-94-0), with molecular formula C10H20O4S and molecular weight 236.11 g/mol. IUPAC: 2-octylsulfonylacetic acid.
Chemical Property Profile of 2-Octylsulfonylacetic acid
Property Insights of 2-Octylsulfonylacetic acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Octylsulfonylacetic acid. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Octylsulfonylacetic acid. Following Lipinski's Rule of Five, 2-Octylsulfonylacetic acid has 1 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-Octylsulfonylacetic acid?
The CAS number of 2-Octylsulfonylacetic acid is 13887-94-0.
What is the molecular formula of 2-Octylsulfonylacetic acid?
The molecular formula of 2-Octylsulfonylacetic acid is C10H20O4S.
What is the molecular weight of 2-Octylsulfonylacetic acid?
The molecular weight of 2-Octylsulfonylacetic acid is 236.11 g/mol.
Where can I buy 2-Octylsulfonylacetic acid?
You can request a quote for 2-Octylsulfonylacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Octylsulfonylacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Octylsulfonylacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.