1,4-Diaethinyl-naphthalin
TL;DR: 1,4-Diaethinyl-naphthalin (CAS 64857-70-1) is a chemical compound with molecular formula C16H6F12N2O and molecular weight 470.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,5-bis(trifluoromethyl)phenyl]-[3,5-bis(trifluoromethyl)phenyl]imino-oxidoazanium
Also Known As: 1,4-Diaethinyl-naphthalin, 1,2-di[3,5-di(trifluoromethyl)phenyl]diaz-1-en-1-ium-1-olate, [3,5-bis(trifluoromethyl)phenyl]-[3,5-bis(trifluoromethyl)phenyl]imino-oxidoazanium, 3,3'',5,5''-TETRAKIS(TRIFLUOROMETHYL)AZOXYBENZENE, 1-{(Z)-[3,5-Bis(trifluoromethyl)phenyl]-NNO-azoxy}-3,5-bis(trifluoromethyl)benzene
| Molecular Formula | C16H6F12N2O |
|---|---|
| Molecular Weight | 470.03 g/mol |
| LogP | 7.6875 |
| Topological Polar Surface Area | 38.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 470.02884 |
| Heavy Atoms | 31 |
| Complexity | 935.1145 |
Chemical Identifiers
| CAS Number | 64857-70-1 |
|---|---|
| SMILES | C1=C(C=C(C=C1C(F)(F)F)N=[N+](C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)[O-])C(F)(F)F |
Product Overview
1,4-Diaethinyl-naphthalin (CAS 64857-70-1), with molecular formula C16H6F12N2O and molecular weight 470.03 g/mol. IUPAC: [3,5-bis(trifluoromethyl)phenyl]-[3,5-bis(trifluoromethyl)phenyl]imino-oxidoazanium.
Chemical Property Profile of 1,4-Diaethinyl-naphthalin
Property Insights of 1,4-Diaethinyl-naphthalin
The XLogP value of 7.6875 indicates that 1,4-Diaethinyl-naphthalin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.43 Ų, 1,4-Diaethinyl-naphthalin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Diaethinyl-naphthalin has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,4-Diaethinyl-naphthalin?
The CAS number of 1,4-Diaethinyl-naphthalin is 64857-70-1.
What is the molecular formula of 1,4-Diaethinyl-naphthalin?
The molecular formula of 1,4-Diaethinyl-naphthalin is C16H6F12N2O.
What is the molecular weight of 1,4-Diaethinyl-naphthalin?
The molecular weight of 1,4-Diaethinyl-naphthalin is 470.03 g/mol.
Where can I buy 1,4-Diaethinyl-naphthalin?
You can request a quote for 1,4-Diaethinyl-naphthalin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Diaethinyl-naphthalin?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Diaethinyl-naphthalin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.