5N-516S
TL;DR: 5N-516S (CAS 478049-87-5) is a chemical compound with molecular formula C27H28FN3O2 and molecular weight 445.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-(4-methoxyphenyl)-1-phenylazetidin-2-one
Also Known As: 5N-516S, 3-{[4-(2-fluorophenyl)piperazino]methyl}-4-(4-methoxyphenyl)-1-phenyl-2-azetanone, 3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-(4-methoxyphenyl)-1-phenylazetidin-2-one, 3-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-4-(4-methoxyphenyl)-1-phenylazetidin-2-one, 3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-(4-methoxyphenyl)-1-phenyl-azetidin-2-one
| Molecular Formula | C27H28FN3O2 |
|---|---|
| Molecular Weight | 445.22 g/mol |
| LogP | 4.3606 |
| Topological Polar Surface Area | 36.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 445.21655 |
| Heavy Atoms | 33 |
| Complexity | 1097.864 |
Chemical Identifiers
| CAS Number | 478049-87-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2C(C(=O)N2C3=CC=CC=C3)CN4CCN(CC4)C5=CC=CC=C5F |
Product Overview
5N-516S (CAS 478049-87-5), with molecular formula C27H28FN3O2 and molecular weight 445.22 g/mol. IUPAC: 3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-4-(4-methoxyphenyl)-1-phenylazetidin-2-one.
Chemical Property Profile of 5N-516S
Property Insights of 5N-516S
The XLogP value of 4.3606 indicates that 5N-516S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.02 Ų, 5N-516S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5N-516S has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5N-516S?
The CAS number of 5N-516S is 478049-87-5.
What is the molecular formula of 5N-516S?
The molecular formula of 5N-516S is C27H28FN3O2.
What is the molecular weight of 5N-516S?
The molecular weight of 5N-516S is 445.22 g/mol.
Where can I buy 5N-516S?
You can request a quote for 5N-516S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5N-516S?
Yes, KEHONG BIO provides custom synthesis services for 5N-516S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.