RefChem:268001
TL;DR: RefChem:268001 (CAS 85868-63-9) is a chemical compound with molecular formula C27H34Cl4N4O2 and molecular weight 586.1436 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]-2H-1,4-benzoxazin-3-amine;tetrahydrochloride
Also Known As: 2H-1,4-Benzoxazin-3-amine, N-(3-(3-(4-phenyl-1-piperazinyl)propoxy)phenyl)-, tetrahydrochloride, N-(3-(3-(4-Phenyl-1-piperazinyl)propoxy)phenyl)-2H-1,4-benzoxazin-3-amine 4HCl, N-[4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]-2H-1,4-benzoxazin-3-amine tetrahydrochloride, N-{4-[3-(4-Phenylpiperazin-1-yl)propoxy]phenyl}-2H-1,4-benzoxazin-3-amine--hydrogen chloride (1/4)
Technical Specifications
| Molecular Formula | C27H34Cl4N4O2 |
| Molecular Weight | 586.1436 g/mol |
| XLogP | 6.5 |
| Topological Polar Surface Area (TPSA) | 49.3 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 588.1406 Da |
| Heavy Atoms | 37 |
| Complexity | 607.0 |
| SMILES | C1CN(CCN1CCCOC2=CC=C(C=C2)NC3=NC4=CC=CC=C4OC3)C5=CC=CC=C5.Cl.Cl.Cl.Cl |
| InChIKey | PNMOTZXKMBHGMY-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:268001
Property Insights of RefChem:268001
The XLogP value of 6.5 indicates that RefChem:268001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.3 Ų, RefChem:268001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:268001 has 5 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:268001?
The CAS number of RefChem:268001 is 85868-63-9.
What is the molecular formula of RefChem:268001?
The molecular formula of RefChem:268001 is C27H34Cl4N4O2.
What is the molecular weight of RefChem:268001?
The molecular weight of RefChem:268001 is 586.1436 g/mol.
Where can I buy RefChem:268001?
You can request a quote for RefChem:268001 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:268001?
Yes, CoreyChem provides custom synthesis services for RefChem:268001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.