Benzene,1-ethyl-4-isocyano-
TL;DR: Benzene,1-ethyl-4-isocyano- (CAS 143063-89-2) is a chemical compound with molecular formula C9H9N and molecular weight 131.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-4-isocyanobenzene
Also Known As: 4-Ethylphenyl isocyanide, 1-ethyl-4-isocyanobenzene, 4-Ethylphenylisocyanide, Benzene,1-ethyl-4-isocyano-, 1-Isocyano-4-ethylbenzene
| Molecular Formula | C9H9N |
|---|---|
| Molecular Weight | 131.07 g/mol |
| LogP | 2.79979 |
| Topological Polar Surface Area | 4.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 131.0735 |
| Heavy Atoms | 10 |
| Complexity | 240.42593 |
Chemical Identifiers
| CAS Number | 143063-89-2 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)[N+]#[C-] |
Product Overview
Benzene,1-ethyl-4-isocyano- (CAS 143063-89-2), with molecular formula C9H9N and molecular weight 131.07 g/mol. IUPAC: 1-ethyl-4-isocyanobenzene.
Chemical Property Profile of Benzene,1-ethyl-4-isocyano-
Property Insights of Benzene,1-ethyl-4-isocyano-
The XLogP value of 2.79979 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzene,1-ethyl-4-isocyano-. With a topological polar surface area (TPSA) of 4.36 Ų, Benzene,1-ethyl-4-isocyano- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene,1-ethyl-4-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-ethyl-4-isocyano-?
The CAS number of Benzene,1-ethyl-4-isocyano- is 143063-89-2.
What is the molecular formula of Benzene,1-ethyl-4-isocyano-?
The molecular formula of Benzene,1-ethyl-4-isocyano- is C9H9N.
What is the molecular weight of Benzene,1-ethyl-4-isocyano-?
The molecular weight of Benzene,1-ethyl-4-isocyano- is 131.07 g/mol.
Where can I buy Benzene,1-ethyl-4-isocyano-?
You can request a quote for Benzene,1-ethyl-4-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-ethyl-4-isocyano-?
Yes, KEHONG BIO provides custom synthesis services for Benzene,1-ethyl-4-isocyano- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.