Benzene, 1,3-bis(trifluoromethyl)-5-isocyano-
TL;DR: Benzene, 1,3-bis(trifluoromethyl)-5-isocyano- (CAS 141206-73-7) is a chemical compound with molecular formula C9H3F6N and molecular weight 239.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-isocyano-3,5-bis(trifluoromethyl)benzene
Also Known As: 1-isocyano-3,5-bis(trifluoromethyl)benzene, Benzene, 1,3-bis(trifluoromethyl)-5-isocyano-, 1,3-Bis(trifluoromethyl)-5-isocyanobenzene, 3,5-Bis(trifluoromethyl)phenyl isocyanide, Benzene,1-isocyano-3,5-bis(trifluoromethyl)-
| Molecular Formula | C9H3F6N |
|---|---|
| Molecular Weight | 239.02 g/mol |
| LogP | 4.27499 |
| Topological Polar Surface Area | 4.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 239.01697 |
| Heavy Atoms | 16 |
| Complexity | 404.53314 |
Chemical Identifiers
| CAS Number | 141206-73-7 |
|---|---|
| SMILES | [C-]#[N+]C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F |
Product Overview
Benzene, 1,3-bis(trifluoromethyl)-5-isocyano- (CAS 141206-73-7), with molecular formula C9H3F6N and molecular weight 239.02 g/mol. IUPAC: 1-isocyano-3,5-bis(trifluoromethyl)benzene.
Chemical Property Profile of Benzene, 1,3-bis(trifluoromethyl)-5-isocyano-
Property Insights of Benzene, 1,3-bis(trifluoromethyl)-5-isocyano-
The XLogP value of 4.27499 indicates that Benzene, 1,3-bis(trifluoromethyl)-5-isocyano- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 4.36 Ų, Benzene, 1,3-bis(trifluoromethyl)-5-isocyano- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1,3-bis(trifluoromethyl)-5-isocyano- has 0 hydrogen bond donor(s) and 0 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 Benzene, 1,3-bis(trifluoromethyl)-5-isocyano-?
The CAS number of Benzene, 1,3-bis(trifluoromethyl)-5-isocyano- is 141206-73-7.
What is the molecular formula of Benzene, 1,3-bis(trifluoromethyl)-5-isocyano-?
The molecular formula of Benzene, 1,3-bis(trifluoromethyl)-5-isocyano- is C9H3F6N.
What is the molecular weight of Benzene, 1,3-bis(trifluoromethyl)-5-isocyano-?
The molecular weight of Benzene, 1,3-bis(trifluoromethyl)-5-isocyano- is 239.02 g/mol.
Where can I buy Benzene, 1,3-bis(trifluoromethyl)-5-isocyano-?
You can request a quote for Benzene, 1,3-bis(trifluoromethyl)-5-isocyano- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1,3-bis(trifluoromethyl)-5-isocyano-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1,3-bis(trifluoromethyl)-5-isocyano- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.