4,4-Bis(ethylsulfonyl)heptanedioic acid
TL;DR: 4,4-Bis(ethylsulfonyl)heptanedioic acid (CAS 6954-59-2) is a chemical compound with molecular formula C11H20O8S2 and molecular weight 344.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-bis(ethylsulfonyl)heptanedioic acid
Also Known As: 4,4-bis(ethylsulfonyl)heptanedioic acid, 4,4-Di(ethanesulfonyl)heptanedioic acid
| Molecular Formula | C11H20O8S2 |
|---|---|
| Molecular Weight | 344.06 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 160.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 344.05997 |
| Heavy Atoms | 21 |
| Complexity | 523.0 |
Chemical Identifiers
| CAS Number | 6954-59-2 |
|---|---|
| SMILES | CCS(=O)(=O)C(CCC(=O)O)(CCC(=O)O)S(=O)(=O)CC |
| InChIKey | WAFKYJDCOCNKPJ-UHFFFAOYSA-N |
Product Overview
4,4-Bis(ethylsulfonyl)heptanedioic acid (CAS 6954-59-2), with molecular formula C11H20O8S2 and molecular weight 344.06 g/mol. IUPAC: 4,4-bis(ethylsulfonyl)heptanedioic acid.
Chemical Property Profile of 4,4-Bis(ethylsulfonyl)heptanedioic acid
Property Insights of 4,4-Bis(ethylsulfonyl)heptanedioic acid
The XLogP value of -0.6 indicates that 4,4-Bis(ethylsulfonyl)heptanedioic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 160.0 Ų indicates high polarity, suggesting 4,4-Bis(ethylsulfonyl)heptanedioic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4,4-Bis(ethylsulfonyl)heptanedioic acid has 2 hydrogen bond donor(s) and 8 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 4,4-Bis(ethylsulfonyl)heptanedioic acid?
The CAS number of 4,4-Bis(ethylsulfonyl)heptanedioic acid is 6954-59-2.
What is the molecular formula of 4,4-Bis(ethylsulfonyl)heptanedioic acid?
The molecular formula of 4,4-Bis(ethylsulfonyl)heptanedioic acid is C11H20O8S2.
What is the molecular weight of 4,4-Bis(ethylsulfonyl)heptanedioic acid?
The molecular weight of 4,4-Bis(ethylsulfonyl)heptanedioic acid is 344.06 g/mol.
Where can I buy 4,4-Bis(ethylsulfonyl)heptanedioic acid?
You can request a quote for 4,4-Bis(ethylsulfonyl)heptanedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4-Bis(ethylsulfonyl)heptanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 4,4-Bis(ethylsulfonyl)heptanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.