C18H25BrClN3
TL;DR: C18H25BrClN3 (CAS 1035495-76-1) is a chemical compound with molecular formula C18H25BrClN3 and molecular weight 397.09204 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(4-chlorophenyl)methyl-pyridin-2-ylamino]ethyl-ethyl-dimethylazanium bromide
Also Known As: 2-((4-chlorobenzyl)(pyridin-2-yl)amino)-N-ethyl-N,N-dimethylethanaminium bromide, {2-[(4-Chloro-benzyl)-pyridin-2-yl-amino]-ethyl}-ethyl-dimethyl-ammonium, C18H25BrClN3
Technical Specifications
| Molecular Formula | C18H25BrClN3 |
| Molecular Weight | 397.09204 g/mol |
| XLogP | 0.8419 |
| Topological Polar Surface Area (TPSA) | 16.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 397.09204 Da |
| Heavy Atoms | 23 |
| Complexity | 313.0 |
| SMILES | CC[N+](C)(C)CCN(CC1=CC=C(C=C1)Cl)C2=CC=CC=N2.[Br-] |
| InChIKey | VVNURBHVZVOBGR-UHFFFAOYSA-M |
Chemical Property Profile of C18H25BrClN3
Property Insights of C18H25BrClN3
The XLogP value of 0.8419 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C18H25BrClN3. With a topological polar surface area (TPSA) of 16.1 Ų, C18H25BrClN3 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C18H25BrClN3 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of C18H25BrClN3?
The CAS number of C18H25BrClN3 is 1035495-76-1.
What is the molecular formula of C18H25BrClN3?
The molecular formula of C18H25BrClN3 is C18H25BrClN3.
What is the molecular weight of C18H25BrClN3?
The molecular weight of C18H25BrClN3 is 397.09204 g/mol.
Where can I buy C18H25BrClN3?
You can request a quote for C18H25BrClN3 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C18H25BrClN3?
Yes, CoreyChem provides custom synthesis services for C18H25BrClN3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.