![2-[5-(Carboxymethylsulfonyl)pentylsulfonyl]acetic acid structure](/static/products/796/79695-57-1.png)
2-[5-(Carboxymethylsulfonyl)pentylsulfonyl]acetic acid
TL;DR: 2-[5-(Carboxymethylsulfonyl)pentylsulfonyl]acetic acid (CAS 79695-57-1) is a chemical compound with molecular formula C9H16O8S2 and molecular weight 316.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-(carboxymethylsulfonyl)pentylsulfonyl]acetic acid
Also Known As: 2-[5-(carboxymethylsulfonyl)pentylsulfonyl]acetic acid, 2,2'-(Pentane-1,5-diyldisulfonyl)diacetic acid
| Molecular Formula | C9H16O8S2 |
|---|---|
| Molecular Weight | 316.03 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 160.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 316.02866 |
| Heavy Atoms | 19 |
| Complexity | 457.0 |
Chemical Identifiers
| CAS Number | 79695-57-1 |
|---|---|
| SMILES | C(CCS(=O)(=O)CC(=O)O)CCS(=O)(=O)CC(=O)O |
| InChIKey | ASTKZVCIYJILAV-UHFFFAOYSA-N |
Product Overview
2-[5-(Carboxymethylsulfonyl)pentylsulfonyl]acetic acid (CAS 79695-57-1), with molecular formula C9H16O8S2 and molecular weight 316.03 g/mol. IUPAC: 2-[5-(carboxymethylsulfonyl)pentylsulfonyl]acetic acid.
Chemical Property Profile of 2-[5-(Carboxymethylsulfonyl)pentylsulfonyl]acetic acid
Property Insights of 2-[5-(Carboxymethylsulfonyl)pentylsulfonyl]acetic acid
The XLogP value of -0.8 indicates that 2-[5-(Carboxymethylsulfonyl)pentylsulfonyl]acetic 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 2-[5-(Carboxymethylsulfonyl)pentylsulfonyl]acetic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-[5-(Carboxymethylsulfonyl)pentylsulfonyl]acetic 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 2-[5-(Carboxymethylsulfonyl)pentylsulfonyl]acetic acid?
The CAS number of 2-[5-(Carboxymethylsulfonyl)pentylsulfonyl]acetic acid is 79695-57-1.
What is the molecular formula of 2-[5-(Carboxymethylsulfonyl)pentylsulfonyl]acetic acid?
The molecular formula of 2-[5-(Carboxymethylsulfonyl)pentylsulfonyl]acetic acid is C9H16O8S2.
What is the molecular weight of 2-[5-(Carboxymethylsulfonyl)pentylsulfonyl]acetic acid?
The molecular weight of 2-[5-(Carboxymethylsulfonyl)pentylsulfonyl]acetic acid is 316.03 g/mol.
Where can I buy 2-[5-(Carboxymethylsulfonyl)pentylsulfonyl]acetic acid?
You can request a quote for 2-[5-(Carboxymethylsulfonyl)pentylsulfonyl]acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[5-(Carboxymethylsulfonyl)pentylsulfonyl]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[5-(Carboxymethylsulfonyl)pentylsulfonyl]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.