1,3-丙二磺酸单乙酯
TL;DR: 1,3-丙二磺酸单乙酯 (CAS 64398-88-5) is a chemical compound with molecular formula C5H12O6S2 and molecular weight 232.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-丙二磺酸单乙酯
3-ethoxysulfonylpropane-1-sulfonic acid
Also Known As: Monoethyl 1,3-propanedisulfonate, 1,3-Propanedisulfonic acid, monoethyl ester, 3-ethoxysulfonylpropane-1-sulfonic acid, 3-(ETHOXYSULFONYL)PROPANE-1-SULFONIC ACID
| Molecular Formula | C5H12O6S2 |
|---|---|
| Molecular Weight | 232.01 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 232.00754 |
| Heavy Atoms | 13 |
| Complexity | 315.0 |
Chemical Identifiers
| CAS Number | 64398-88-5 |
|---|---|
| SMILES | CCOS(=O)(=O)CCCS(=O)(=O)O |
| InChIKey | FSLNQAQEIROOBE-UHFFFAOYSA-N |
Product Overview
1,3-丙二磺酸单乙酯 (CAS 64398-88-5), with molecular formula C5H12O6S2 and molecular weight 232.01 g/mol. IUPAC: 3-ethoxysulfonylpropane-1-sulfonic acid.
Chemical Property Profile of 1,3-丙二磺酸单乙酯
Property Insights of 1,3-丙二磺酸单乙酯
The XLogP value of -0.7 indicates that 1,3-丙二磺酸单乙酯 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-丙二磺酸单乙酯. Following Lipinski's Rule of Five, 1,3-丙二磺酸单乙酯 has 1 hydrogen bond donor(s) and 6 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 1,3-丙二磺酸单乙酯?
The CAS number of 1,3-丙二磺酸单乙酯 is 64398-88-5.
What is the molecular formula of 1,3-丙二磺酸单乙酯?
The molecular formula of 1,3-丙二磺酸单乙酯 is C5H12O6S2.
What is the molecular weight of 1,3-丙二磺酸单乙酯?
The molecular weight of 1,3-丙二磺酸单乙酯 is 232.01 g/mol.
Where can I buy 1,3-丙二磺酸单乙酯?
You can request a quote for 1,3-丙二磺酸单乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-丙二磺酸单乙酯?
Yes, KEHONG BIO provides custom synthesis services for 1,3-丙二磺酸单乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.