trans-Sulfo-SMCC
TL;DR: trans-Sulfo-SMCC (CAS 103708-09-4) is a chemical compound with molecular formula C16H18N2O9S and molecular weight 414.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]oxy-2,5-dioxopyrrolidine-3-sulfonic acid
Also Known As: trans-Sulfo-SMCC, Sulfo-SMCC, 1-((1r,4r)-4-((2,5-dioxo-2H-pyrrol-1(5H)-yl)methyl)cyclohexanecarbonyloxy)-2,5-dioxopyrrolidine-3-sulfonic acid, J1.363.424F, 1-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]oxy-2,5-dioxopyrrolidine-3-sulfonic acid
| Molecular Formula | C16H18N2O9S |
|---|---|
| Molecular Weight | 414.07 g/mol |
| LogP | -0.8087 |
| Topological Polar Surface Area | 155.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 414.0733 |
| Heavy Atoms | 28 |
| Complexity | 852.54584 |
Chemical Identifiers
| CAS Number | 103708-09-4 |
|---|---|
| SMILES | C1CC(CCC1CN2C(=O)C=CC2=O)C(=O)ON3C(=O)CC(C3=O)S(=O)(=O)O |
Product Overview
trans-Sulfo-SMCC (CAS 103708-09-4), with molecular formula C16H18N2O9S and molecular weight 414.07 g/mol. IUPAC: 1-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]oxy-2,5-dioxopyrrolidine-3-sulfonic acid.
Chemical Property Profile of trans-Sulfo-SMCC
Property Insights of trans-Sulfo-SMCC
The XLogP value of -0.8087 indicates that trans-Sulfo-SMCC is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 155.43 Ų indicates high polarity, suggesting trans-Sulfo-SMCC may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, trans-Sulfo-SMCC has 1 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 trans-Sulfo-SMCC?
The CAS number of trans-Sulfo-SMCC is 103708-09-4.
What is the molecular formula of trans-Sulfo-SMCC?
The molecular formula of trans-Sulfo-SMCC is C16H18N2O9S.
What is the molecular weight of trans-Sulfo-SMCC?
The molecular weight of trans-Sulfo-SMCC is 414.07 g/mol.
Where can I buy trans-Sulfo-SMCC?
You can request a quote for trans-Sulfo-SMCC directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for trans-Sulfo-SMCC?
Yes, KEHONG BIO provides custom synthesis services for trans-Sulfo-SMCC and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.