RefChem:1082058
TL;DR: RefChem:1082058 (CAS 129005-21-6) is a chemical compound with molecular formula C11H18ClCoNO7S and molecular weight 401.98245 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-amino-4-dimethylsulfoniobutanoate;cobalt(2+);2-oxopentanedioate;hydrochloride
Also Known As: alpha-Ketoglutarato-O,I(sup alpha)-chloro-S-methylmethioninato-O,N-cobalt (II), ((3-Amino-3-carboxypropyl)dimethylsulfoniumato-N,O)(2-oxopentanedioato(2-)-O1,O2)cobalt hydrochloride, alpha-Ketoglutarato-O,1alpha-chloro-S-methylmethioninato-O,N-cobalt(II), Cobalt(2+) 2-oxopentanedioate--2-amino-4-(dimethylsulfaniumyl)butanoate--hydrogen chloride (1/1/1/1), Cobalt, ((3-amino-3-carboxypropyl)dimethylsulfoniumato-N,O)(2-oxopentanedioato(2-)-O(sup 1),O(sup 2))-, hydrochloride
Technical Specifications
| Molecular Formula | C11H18ClCoNO7S |
| Molecular Weight | 401.98245 g/mol |
| XLogP | -4.4136 |
| Topological Polar Surface Area (TPSA) | 164.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 401.98245 Da |
| Heavy Atoms | 22 |
| Complexity | 271.0 |
| SMILES | C[S+](C)CCC(C(=O)[O-])N.C(CC(=O)[O-])C(=O)C(=O)[O-].Cl.[Co+2] |
| InChIKey | WVMIRFPRHOPKIZ-UHFFFAOYSA-L |
Chemical Property Profile of RefChem:1082058
Property Insights of RefChem:1082058
The XLogP value of -4.4136 indicates that RefChem:1082058 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 164.0 Ų indicates high polarity, suggesting RefChem:1082058 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1082058 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
What is the CAS number of RefChem:1082058?
The CAS number of RefChem:1082058 is 129005-21-6.
What is the molecular formula of RefChem:1082058?
The molecular formula of RefChem:1082058 is C11H18ClCoNO7S.
What is the molecular weight of RefChem:1082058?
The molecular weight of RefChem:1082058 is 401.98245 g/mol.
Where can I buy RefChem:1082058?
You can request a quote for RefChem:1082058 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1082058?
Yes, CoreyChem provides custom synthesis services for RefChem:1082058 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.