Cystine ketimine
TL;DR: Cystine ketimine (CAS 83711-66-4) is a chemical compound with molecular formula C6H7NO4S2 and molecular weight 220.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,7-dihydro-3H-1,2,5-dithiazepine-4,6-dicarboxylic acid
Also Known As: Cystine ketimine, 4,7-dihydro-3H-1,2,5-dithiazepine-4,6-dicarboxylic acid, 3H-1,2,5-Dithiazepine-4,6-dicarboxylic acid, 4,7-dihydro-, 3H-1,2,5-Dithiazepine-4,6-dicarboxylicacid, 4,7-dihydro-, RefChem:130246
| Molecular Formula | C6H7NO4S2 |
|---|---|
| Molecular Weight | 220.98 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 220.98164 |
| Heavy Atoms | 13 |
| Complexity | 265.0 |
Chemical Identifiers
| CAS Number | 83711-66-4 |
|---|---|
| SMILES | C1C(N=C(CSS1)C(=O)O)C(=O)O |
| InChIKey | PWKSHUCYGIEVLE-UHFFFAOYSA-N |
Product Overview
Cystine ketimine (CAS 83711-66-4), with molecular formula C6H7NO4S2 and molecular weight 220.98 g/mol. IUPAC: 4,7-dihydro-3H-1,2,5-dithiazepine-4,6-dicarboxylic acid.
Chemical Property Profile of Cystine ketimine
Property Insights of Cystine ketimine
The XLogP value of -0.1 indicates that Cystine ketimine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Cystine ketimine. Following Lipinski's Rule of Five, Cystine ketimine has 2 hydrogen bond donor(s) and 7 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 Cystine ketimine?
The CAS number of Cystine ketimine is 83711-66-4.
What is the molecular formula of Cystine ketimine?
The molecular formula of Cystine ketimine is C6H7NO4S2.
What is the molecular weight of Cystine ketimine?
The molecular weight of Cystine ketimine is 220.98 g/mol.
Where can I buy Cystine ketimine?
You can request a quote for Cystine ketimine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cystine ketimine?
Yes, KEHONG BIO provides custom synthesis services for Cystine ketimine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.