3-(2-Propyn-1-yloxy)-1-propanesulfonic acid
TL;DR: 3-(2-Propyn-1-yloxy)-1-propanesulfonic acid (CAS 13076-48-7) is a chemical compound with molecular formula C6H10O4S and molecular weight 178.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-prop-2-ynoxypropane-1-sulfonic acid
Also Known As: 3-prop-2-ynoxypropane-1-sulfonic Acid, 3-(2-Propyn-1-yloxy)-1-propanesulfonic acid, 3-(Prop-2-yn-1-yloxy)propane-1-sulfonic acid
| Molecular Formula | C6H10O4S |
|---|---|
| Molecular Weight | 178.03 g/mol |
| LogP | -0.0859 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 178.02998 |
| Heavy Atoms | 11 |
| Complexity | 223.45706 |
Chemical Identifiers
| CAS Number | 13076-48-7 |
|---|---|
| SMILES | C#CCOCCCS(=O)(=O)O |
Product Overview
3-(2-Propyn-1-yloxy)-1-propanesulfonic acid (CAS 13076-48-7), with molecular formula C6H10O4S and molecular weight 178.03 g/mol. IUPAC: 3-prop-2-ynoxypropane-1-sulfonic acid.
Chemical Property Profile of 3-(2-Propyn-1-yloxy)-1-propanesulfonic acid
Property Insights of 3-(2-Propyn-1-yloxy)-1-propanesulfonic acid
The XLogP value of -0.0859 indicates that 3-(2-Propyn-1-yloxy)-1-propanesulfonic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Propyn-1-yloxy)-1-propanesulfonic acid. Following Lipinski's Rule of Five, 3-(2-Propyn-1-yloxy)-1-propanesulfonic acid has 1 hydrogen bond donor(s) and 3 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 3-(2-Propyn-1-yloxy)-1-propanesulfonic acid?
The CAS number of 3-(2-Propyn-1-yloxy)-1-propanesulfonic acid is 13076-48-7.
What is the molecular formula of 3-(2-Propyn-1-yloxy)-1-propanesulfonic acid?
The molecular formula of 3-(2-Propyn-1-yloxy)-1-propanesulfonic acid is C6H10O4S.
What is the molecular weight of 3-(2-Propyn-1-yloxy)-1-propanesulfonic acid?
The molecular weight of 3-(2-Propyn-1-yloxy)-1-propanesulfonic acid is 178.03 g/mol.
Where can I buy 3-(2-Propyn-1-yloxy)-1-propanesulfonic acid?
You can request a quote for 3-(2-Propyn-1-yloxy)-1-propanesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Propyn-1-yloxy)-1-propanesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Propyn-1-yloxy)-1-propanesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.