Benzene, 1,3,5-tris(1,1-dimethylethyl)-2-isocyano-
TL;DR: Benzene, 1,3,5-tris(1,1-dimethylethyl)-2-isocyano- (CAS 69847-28-5) is a chemical compound with molecular formula C19H29N and molecular weight 271.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,5-tritert-butyl-2-isocyanobenzene
Also Known As: 1,3,5-tritert-butyl-2-isocyanobenzene, 2,4,6-Tri(tert-butyl)phenyl isocyanide, 2,4,6-tri-tert-butylphenyl isocyanide, 2-isocyano-1,3,5-tritert-butyl-benzene, 1,3,5-TRI-TERT-BUTYL-2-ISOCYANOBENZENE
| Molecular Formula | C19H29N |
|---|---|
| Molecular Weight | 271.23 g/mol |
| LogP | 6.7 |
| Topological Polar Surface Area | 4.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 271.23 |
| Heavy Atoms | 20 |
| Complexity | 353.0 |
Chemical Identifiers
| CAS Number | 69847-28-5 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)[N+]#[C-])C(C)(C)C |
| InChIKey | JTBCCXURHCRKGM-UHFFFAOYSA-N |
Product Overview
Benzene, 1,3,5-tris(1,1-dimethylethyl)-2-isocyano- (CAS 69847-28-5), with molecular formula C19H29N and molecular weight 271.23 g/mol. IUPAC: 1,3,5-tritert-butyl-2-isocyanobenzene.
Chemical Property Profile of Benzene, 1,3,5-tris(1,1-dimethylethyl)-2-isocyano-
Property Insights of Benzene, 1,3,5-tris(1,1-dimethylethyl)-2-isocyano-
The XLogP value of 6.7 indicates that Benzene, 1,3,5-tris(1,1-dimethylethyl)-2-isocyano- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 4.4 Ų, Benzene, 1,3,5-tris(1,1-dimethylethyl)-2-isocyano- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1,3,5-tris(1,1-dimethylethyl)-2-isocyano- has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzene, 1,3,5-tris(1,1-dimethylethyl)-2-isocyano-?
The CAS number of Benzene, 1,3,5-tris(1,1-dimethylethyl)-2-isocyano- is 69847-28-5.
What is the molecular formula of Benzene, 1,3,5-tris(1,1-dimethylethyl)-2-isocyano-?
The molecular formula of Benzene, 1,3,5-tris(1,1-dimethylethyl)-2-isocyano- is C19H29N.
What is the molecular weight of Benzene, 1,3,5-tris(1,1-dimethylethyl)-2-isocyano-?
The molecular weight of Benzene, 1,3,5-tris(1,1-dimethylethyl)-2-isocyano- is 271.23 g/mol.
Where can I buy Benzene, 1,3,5-tris(1,1-dimethylethyl)-2-isocyano-?
You can request a quote for Benzene, 1,3,5-tris(1,1-dimethylethyl)-2-isocyano- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1,3,5-tris(1,1-dimethylethyl)-2-isocyano-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1,3,5-tris(1,1-dimethylethyl)-2-isocyano- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.