9N-700
TL;DR: 9N-700 (CAS 478247-64-2) is a chemical compound with molecular formula C17H12F6N2O2S and molecular weight 422.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4,4-trifluorobut-3-enylsulfanyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
Also Known As: 9N-700, 2-(3,4,4-trifluorobut-3-enylsulfanyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide, 2-[(3,4,4-trifluoro-3-butenyl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]nicotinamide, 2-[(3,4,4-trifluorobut-3-en-1-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
| Molecular Formula | C17H12F6N2O2S |
|---|---|
| Molecular Weight | 422.05 g/mol |
| LogP | 5.7923 |
| Topological Polar Surface Area | 51.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 422.05237 |
| Heavy Atoms | 28 |
| Complexity | 851.47125 |
Chemical Identifiers
| CAS Number | 478247-64-2 |
|---|---|
| SMILES | C1=CC(=C(N=C1)SCCC(=C(F)F)F)C(=O)NC2=CC=C(C=C2)OC(F)(F)F |
Product Overview
9N-700 (CAS 478247-64-2), with molecular formula C17H12F6N2O2S and molecular weight 422.05 g/mol. IUPAC: 2-(3,4,4-trifluorobut-3-enylsulfanyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.
Chemical Property Profile of 9N-700
Property Insights of 9N-700
The XLogP value of 5.7923 indicates that 9N-700 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.22 Ų, 9N-700 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9N-700 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 9N-700?
The CAS number of 9N-700 is 478247-64-2.
What is the molecular formula of 9N-700?
The molecular formula of 9N-700 is C17H12F6N2O2S.
What is the molecular weight of 9N-700?
The molecular weight of 9N-700 is 422.05 g/mol.
Where can I buy 9N-700?
You can request a quote for 9N-700 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9N-700?
Yes, KEHONG BIO provides custom synthesis services for 9N-700 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.