RefChem:315995
TL;DR: RefChem:315995 (CAS 102582-90-1) is a chemical compound with molecular formula C14H22N2O7S and molecular weight 362.11478 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-nitrophenyl)sulfanylacetate;tris(2-hydroxyethyl)azanium
Also Known As: ((4-Nitrophenyl)thio)acetic acid 2,2'',2'''-nitrilotris(ethanol) (1:1), Acetic acid, ((4-nitrophenyl)thio)-, compd. with 2,2'',2'''-nitrilotris(ethanol) (1:1), 2-(4-nitrophenyl)sulfanylacetate; tris(2-hydroxyethyl)azanium, Acetic acid, ((p-(ntirophenyl)thio)-, compd. with 2,2'',2'''-nitrilotrisethanol) (1:1), tris(2-hydroxyethyl)ammonium 4-nitrophenylsulfanylacetate
Technical Specifications
| Molecular Formula | C14H22N2O7S |
| Molecular Weight | 362.11478 g/mol |
| XLogP | -2.71 |
| Topological Polar Surface Area (TPSA) | 176.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 362.11478 Da |
| Heavy Atoms | 24 |
| Complexity | 270.0 |
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])SCC(=O)[O-].C(CO)[NH+](CCO)CCO |
| InChIKey | SMEYVEUDNNKFIH-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:315995
Property Insights of RefChem:315995
The XLogP value of -2.71 indicates that RefChem:315995 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 176.0 Ų indicates high polarity, suggesting RefChem:315995 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:315995 has 4 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:315995?
The CAS number of RefChem:315995 is 102582-90-1.
What is the molecular formula of RefChem:315995?
The molecular formula of RefChem:315995 is C14H22N2O7S.
What is the molecular weight of RefChem:315995?
The molecular weight of RefChem:315995 is 362.11478 g/mol.
Where can I buy RefChem:315995?
You can request a quote for RefChem:315995 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:315995?
Yes, CoreyChem provides custom synthesis services for RefChem:315995 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.