8N-769
TL;DR: 8N-769 (CAS 478081-13-9) is a chemical compound with molecular formula C21H22F3N3OS and molecular weight 421.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-benzylpiperazin-1-yl)-[2-(3,4,4-trifluorobut-3-enylsulfanyl)-3-pyridinyl]methanone
Also Known As: 8N-769, (4-benzylpiperazin-1-yl)-[2-(3,4,4-trifluorobut-3-enylsulfanyl)pyridin-3-yl]methanone, (4-benzylpiperazino){2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]-3-pyridinyl}methanone, 1-benzyl-4-{2-[(3,4,4-trifluorobut-3-en-1-yl)sulfanyl]pyridine-3-carbonyl}piperazine
| Molecular Formula | C21H22F3N3OS |
|---|---|
| Molecular Weight | 421.14 g/mol |
| LogP | 4.5994 |
| Topological Polar Surface Area | 36.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 421.14355 |
| Heavy Atoms | 29 |
| Complexity | 851.25964 |
Chemical Identifiers
| CAS Number | 478081-13-9 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=C(N=CC=C3)SCCC(=C(F)F)F |
Product Overview
8N-769 (CAS 478081-13-9), with molecular formula C21H22F3N3OS and molecular weight 421.14 g/mol. IUPAC: (4-benzylpiperazin-1-yl)-[2-(3,4,4-trifluorobut-3-enylsulfanyl)-3-pyridinyl]methanone.
Chemical Property Profile of 8N-769
Property Insights of 8N-769
The XLogP value of 4.5994 indicates that 8N-769 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.44 Ų, 8N-769 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8N-769 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 8N-769?
The CAS number of 8N-769 is 478081-13-9.
What is the molecular formula of 8N-769?
The molecular formula of 8N-769 is C21H22F3N3OS.
What is the molecular weight of 8N-769?
The molecular weight of 8N-769 is 421.14 g/mol.
Where can I buy 8N-769?
You can request a quote for 8N-769 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8N-769?
Yes, KEHONG BIO provides custom synthesis services for 8N-769 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.