RefChem:1078489
TL;DR: RefChem:1078489 (CAS 134478-68-5) is a chemical compound with molecular formula C17H18BrNO4S2 and molecular weight 442.98605 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[2-(5-bromothiophen-2-yl)sulfanylphenyl]-N,N-dimethylmethanamine;(E)-but-2-enedioic acid
Also Known As: N,N-Dimethyl-2-(5-bromo-2-thienylthio)benzylamine maleate, 2-((5-Bromo-2-thienyl)thio)-N,N-dimethylbenzenemethanamine (Z)-2-butenedioate (1:1), Benzenemethanamine, 2-((5-bromo-2-thienyl)thio)-N,N-dimethyl-, (Z)-2-butenedioate (1:1), 1-[2-(5-bromothiophen-2-yl)sulfanylphenyl]-N,N-dimethylmethanamine; (E)-but-2-enedioic acid
Technical Specifications
| Molecular Formula | C17H18BrNO4S2 |
| Molecular Weight | 442.98605 g/mol |
| XLogP | 4.4352 |
| Topological Polar Surface Area (TPSA) | 131.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 442.98605 Da |
| Heavy Atoms | 25 |
| Complexity | 356.0 |
| SMILES | CN(C)CC1=CC=CC=C1SC2=CC=C(S2)Br.C(=C/C(=O)O)\C(=O)O |
| InChIKey | XHKYSBOSLISUON-WLHGVMLRSA-N |
Chemical Property Profile of RefChem:1078489
Property Insights of RefChem:1078489
The XLogP value of 4.4352 indicates that RefChem:1078489 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1078489. Following Lipinski's Rule of Five, RefChem:1078489 has 2 hydrogen bond donor(s) and 7 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:1078489?
The CAS number of RefChem:1078489 is 134478-68-5.
What is the molecular formula of RefChem:1078489?
The molecular formula of RefChem:1078489 is C17H18BrNO4S2.
What is the molecular weight of RefChem:1078489?
The molecular weight of RefChem:1078489 is 442.98605 g/mol.
Where can I buy RefChem:1078489?
You can request a quote for RefChem:1078489 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1078489?
Yes, CoreyChem provides custom synthesis services for RefChem:1078489 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.