Hexathionine sulfoximine
TL;DR: Hexathionine sulfoximine (CAS 89324-12-9) is a chemical compound with molecular formula C10H22N2O3S and molecular weight 250.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-2-amino-4-(hexan-2-ylsulfonimidoyl)butanoic acid
Also Known As: Hexthionine sulfoximine, Hexathionine sulfoximine, KST-1A8743, (2R)-2-Amino-4-(S-hexylsulfonimidoyl)butanoic acid, (2R)-2-amino-4-(hexan-2-ylsulfonimidoyl)butanoic acid
| Molecular Formula | C10H22N2O3S |
|---|---|
| Molecular Weight | 250.14 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 250.13512 |
| Heavy Atoms | 16 |
| Complexity | 324.0 |
Chemical Identifiers
| CAS Number | 89324-12-9 |
|---|---|
| SMILES | CCCCC(C)S(=N)(=O)CC[C@H](C(=O)O)N |
| InChIKey | JFIVMCBKMJXKQX-NBHZZOIYSA-N |
Product Overview
Hexathionine sulfoximine (CAS 89324-12-9), with molecular formula C10H22N2O3S and molecular weight 250.14 g/mol. IUPAC: (2R)-2-amino-4-(hexan-2-ylsulfonimidoyl)butanoic acid.
Chemical Property Profile of Hexathionine sulfoximine
Property Insights of Hexathionine sulfoximine
The XLogP value of -0.1 indicates that Hexathionine sulfoximine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Hexathionine sulfoximine. Following Lipinski's Rule of Five, Hexathionine sulfoximine has 3 hydrogen bond donor(s) and 5 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 Hexathionine sulfoximine?
The CAS number of Hexathionine sulfoximine is 89324-12-9.
What is the molecular formula of Hexathionine sulfoximine?
The molecular formula of Hexathionine sulfoximine is C10H22N2O3S.
What is the molecular weight of Hexathionine sulfoximine?
The molecular weight of Hexathionine sulfoximine is 250.14 g/mol.
Where can I buy Hexathionine sulfoximine?
You can request a quote for Hexathionine sulfoximine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexathionine sulfoximine?
Yes, KEHONG BIO provides custom synthesis services for Hexathionine sulfoximine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.