Diethyl butane-1,4-disulfonate
TL;DR: Diethyl butane-1,4-disulfonate (CAS 98544-67-3) is a chemical compound with molecular formula C8H18O6S2 and molecular weight 274.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl butane-1,4-disulfonate
Also Known As: diethyl butane-1,4-disulfonate, 1,4-Butanedisulfonic Acid Diethyl Ester
| Molecular Formula | C8H18O6S2 |
|---|---|
| Molecular Weight | 274.05 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 274.05447 |
| Heavy Atoms | 16 |
| Complexity | 320.0 |
Chemical Identifiers
| CAS Number | 98544-67-3 |
|---|---|
| SMILES | CCOS(=O)(=O)CCCCS(=O)(=O)OCC |
| InChIKey | IESCYMYIMFYUHY-UHFFFAOYSA-N |
Product Overview
Diethyl butane-1,4-disulfonate (CAS 98544-67-3), with molecular formula C8H18O6S2 and molecular weight 274.05 g/mol. IUPAC: diethyl butane-1,4-disulfonate.
Chemical Property Profile of Diethyl butane-1,4-disulfonate
Property Insights of Diethyl butane-1,4-disulfonate
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl butane-1,4-disulfonate. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl butane-1,4-disulfonate. Following Lipinski's Rule of Five, Diethyl butane-1,4-disulfonate has 0 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 Diethyl butane-1,4-disulfonate?
The CAS number of Diethyl butane-1,4-disulfonate is 98544-67-3.
What is the molecular formula of Diethyl butane-1,4-disulfonate?
The molecular formula of Diethyl butane-1,4-disulfonate is C8H18O6S2.
What is the molecular weight of Diethyl butane-1,4-disulfonate?
The molecular weight of Diethyl butane-1,4-disulfonate is 274.05 g/mol.
Where can I buy Diethyl butane-1,4-disulfonate?
You can request a quote for Diethyl butane-1,4-disulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl butane-1,4-disulfonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl butane-1,4-disulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.