Sulfo-SMCC sodium
TL;DR: Sulfo-SMCC sodium (CAS 1286744-60-2) is a chemical compound with molecular formula C16H17N2NaO9S and molecular weight 436.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 1-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]oxy-2,5-dioxopyrrolidine-3-sulfonate
Also Known As: Sulfo-SMCC, Sulfo-SMCC sodium, Sulfo-SMCC (sodium), Sulfo-trans-SMCC, Sulfo-SMCC Crosslinker
| Molecular Formula | C16H17N2NaO9S |
|---|---|
| Molecular Weight | 436.06 g/mol |
| LogP | -4.1473 |
| Topological Polar Surface Area | 158.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 436.05524 |
| Heavy Atoms | 29 |
| Complexity | 858.82135 |
Chemical Identifiers
| CAS Number | 1286744-60-2 |
|---|---|
| SMILES | C1CC(CCC1CN2C(=O)C=CC2=O)C(=O)ON3C(=O)CC(C3=O)S(=O)(=O)[O-].[Na+] |
Product Overview
Sulfo-SMCC sodium (CAS 1286744-60-2), with molecular formula C16H17N2NaO9S and molecular weight 436.06 g/mol. IUPAC: sodium 1-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]oxy-2,5-dioxopyrrolidine-3-sulfonate.
Chemical Property Profile of Sulfo-SMCC sodium
Property Insights of Sulfo-SMCC sodium
The XLogP value of -4.1473 indicates that Sulfo-SMCC sodium is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 158.26 Ų indicates high polarity, suggesting Sulfo-SMCC sodium may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sulfo-SMCC sodium has 0 hydrogen bond donor(s) and 9 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 Sulfo-SMCC sodium?
The CAS number of Sulfo-SMCC sodium is 1286744-60-2.
What is the molecular formula of Sulfo-SMCC sodium?
The molecular formula of Sulfo-SMCC sodium is C16H17N2NaO9S.
What is the molecular weight of Sulfo-SMCC sodium?
The molecular weight of Sulfo-SMCC sodium is 436.06 g/mol.
Where can I buy Sulfo-SMCC sodium?
You can request a quote for Sulfo-SMCC sodium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sulfo-SMCC sodium?
Yes, KEHONG BIO provides custom synthesis services for Sulfo-SMCC sodium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.