![1-Propanesulfonic acid, 3-[(4-hydroxy-2-butynyl)oxy]- structure](/static/products/1307/13076-55-6.webp)
1-Propanesulfonic acid, 3-[(4-hydroxy-2-butynyl)oxy]-
TL;DR: 1-Propanesulfonic acid, 3-[(4-hydroxy-2-butynyl)oxy]- (CAS 13076-55-6) is a chemical compound with molecular formula C7H12O5S and molecular weight 208.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-hydroxybut-2-ynoxy)propane-1-sulfonic acid
Also Known As: Anthracene,1-methoxy-9,10-diphenyl, 3-(4-hydroxybut-2-ynoxy)propane-1-sulfonic Acid, 1-Propanesulfonic acid, 3-[(4-hydroxy-2-butynyl)oxy]-, 3-[(4-HYDROXYBUT-2-YN-1-YL)OXY]PROPANE-1-SULFONIC ACID, 3-[(4-hydroxy-2-butyn-1-yl)oxy]-1-propanesulphonic acid
| Molecular Formula | C7H12O5S |
|---|---|
| Molecular Weight | 208.04 g/mol |
| LogP | -0.7234 |
| Topological Polar Surface Area | 83.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 208.04054 |
| Heavy Atoms | 13 |
| Complexity | 270.99338 |
Chemical Identifiers
| CAS Number | 13076-55-6 |
|---|---|
| SMILES | C(COCC#CCO)CS(=O)(=O)O |
Product Overview
1-Propanesulfonic acid, 3-[(4-hydroxy-2-butynyl)oxy]- (CAS 13076-55-6), with molecular formula C7H12O5S and molecular weight 208.04 g/mol. IUPAC: 3-(4-hydroxybut-2-ynoxy)propane-1-sulfonic acid.
Chemical Property Profile of 1-Propanesulfonic acid, 3-[(4-hydroxy-2-butynyl)oxy]-
Property Insights of 1-Propanesulfonic acid, 3-[(4-hydroxy-2-butynyl)oxy]-
The XLogP value of -0.7234 indicates that 1-Propanesulfonic acid, 3-[(4-hydroxy-2-butynyl)oxy]- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 83.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Propanesulfonic acid, 3-[(4-hydroxy-2-butynyl)oxy]-. Following Lipinski's Rule of Five, 1-Propanesulfonic acid, 3-[(4-hydroxy-2-butynyl)oxy]- has 2 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 1-Propanesulfonic acid, 3-[(4-hydroxy-2-butynyl)oxy]-?
The CAS number of 1-Propanesulfonic acid, 3-[(4-hydroxy-2-butynyl)oxy]- is 13076-55-6.
What is the molecular formula of 1-Propanesulfonic acid, 3-[(4-hydroxy-2-butynyl)oxy]-?
The molecular formula of 1-Propanesulfonic acid, 3-[(4-hydroxy-2-butynyl)oxy]- is C7H12O5S.
What is the molecular weight of 1-Propanesulfonic acid, 3-[(4-hydroxy-2-butynyl)oxy]-?
The molecular weight of 1-Propanesulfonic acid, 3-[(4-hydroxy-2-butynyl)oxy]- is 208.04 g/mol.
Where can I buy 1-Propanesulfonic acid, 3-[(4-hydroxy-2-butynyl)oxy]-?
You can request a quote for 1-Propanesulfonic acid, 3-[(4-hydroxy-2-butynyl)oxy]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Propanesulfonic acid, 3-[(4-hydroxy-2-butynyl)oxy]-?
Yes, KEHONG BIO provides custom synthesis services for 1-Propanesulfonic acid, 3-[(4-hydroxy-2-butynyl)oxy]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.