RefChem:315892
TL;DR: RefChem:315892 (CAS 105892-22-6) is a chemical compound with molecular formula C14H21N3O9S and molecular weight 407.09985 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[bis(2-hydroxyethyl)amino]ethanol;2-(2,4-dinitrophenyl)sulfanylacetic acid
Also Known As: Tris(2-hydroxyethyl)ammonium 2,4-dinitrophenylthioacetate, Acetic acid, ((2,4-dinitrophenyl)thio)-, compd. with 2,2',2''-trinitrilotrisethanol (1:1), ((2,4-Dinitrophenyl)thio)acetic acid 2,2',2''-trinitrilotrisethanol (1:1), [(2,4-dinitrophenyl)sulfanyl]acetic acid- 2,2',2''-nitrilotriethanol(1:1), [(2,4-Dinitrophenyl)sulfanyl]acetic acid--2,2',2''-nitrilotri(ethan-1-ol) (1/1)
Technical Specifications
| Molecular Formula | C14H21N3O9S |
| Molecular Weight | 407.09985 g/mol |
| XLogP | -0.06 |
| Topological Polar Surface Area (TPSA) | 218.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 9 |
| Exact Mass | 407.09985 Da |
| Heavy Atoms | 27 |
| Complexity | 381.0 |
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])SCC(=O)O.C(CO)N(CCO)CCO |
| InChIKey | LZUXXPWSDPHQKG-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:315892
Property Insights of RefChem:315892
The XLogP value of -0.06 indicates that RefChem:315892 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 218.0 Ų indicates high polarity, suggesting RefChem:315892 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:315892 has 4 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:315892?
The CAS number of RefChem:315892 is 105892-22-6.
What is the molecular formula of RefChem:315892?
The molecular formula of RefChem:315892 is C14H21N3O9S.
What is the molecular weight of RefChem:315892?
The molecular weight of RefChem:315892 is 407.09985 g/mol.
Where can I buy RefChem:315892?
You can request a quote for RefChem:315892 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:315892?
Yes, CoreyChem provides custom synthesis services for RefChem:315892 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.