RefChem:316084
TL;DR: RefChem:316084 (CAS 87298-90-6) is a chemical compound with molecular formula C14H22BrNO5S and molecular weight 395.04022 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-bromophenyl)sulfanylacetate;tris(2-hydroxyethyl)azanium
Also Known As: ((p-Bromophenyl)thio)acetic acid 2,2',2''-nitrilotriethanol salt, 2-(4-bromophenyl)sulfanylacetate; tris(2-hydroxyethyl)azanium, Acetic acid, ((p-bromophenyl)thio)-, compd. with 2,2',2''-nitrilotris(ethanol) (1:1), 2-Hydroxy-N,N-bis(2-hydroxyethyl)ethan-1-aminium [(4-bromophenyl)sulfanyl]acetate, ACETIC ACID, ((p-BROMOPHENYL)THIO)-, compd. with 2,2',2''-NITRILOTRIS(ETHANOL) (
Technical Specifications
| Molecular Formula | C14H22BrNO5S |
| Molecular Weight | 395.04022 g/mol |
| XLogP | -1.86 |
| Topological Polar Surface Area (TPSA) | 131.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 395.04022 Da |
| Heavy Atoms | 22 |
| Complexity | 205.0 |
| SMILES | C1=CC(=CC=C1SCC(=O)[O-])Br.C(CO)[NH+](CCO)CCO |
| InChIKey | HJNRMJOXVCOCJL-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:316084
Property Insights of RefChem:316084
The XLogP value of -1.86 indicates that RefChem:316084 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:316084. Following Lipinski's Rule of Five, RefChem:316084 has 4 hydrogen bond donor(s) and 6 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:316084?
The CAS number of RefChem:316084 is 87298-90-6.
What is the molecular formula of RefChem:316084?
The molecular formula of RefChem:316084 is C14H22BrNO5S.
What is the molecular weight of RefChem:316084?
The molecular weight of RefChem:316084 is 395.04022 g/mol.
Where can I buy RefChem:316084?
You can request a quote for RefChem:316084 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:316084?
Yes, CoreyChem provides custom synthesis services for RefChem:316084 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.