(3-Isocyano-1-phenylpropyl)benzene
TL;DR: (3-Isocyano-1-phenylpropyl)benzene (CAS 1030268-87-1) is a chemical compound with molecular formula C16H15N and molecular weight 221.12045 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3-isocyano-1-phenylpropyl)benzene
Also Known As: starbld0043463, (3-isocyano-1-phenylpropyl)benzene, 1-Isocyano-3,3-diphenylpropane, (3-isocyano-1-phenyl-propyl)benzene, (3-Isocyanopropane-1,1-diyl)dibenzene
Technical Specifications
| Molecular Formula | C16H15N |
| Molecular Weight | 221.12045 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 4.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 221.12045 Da |
| Heavy Atoms | 17 |
| Complexity | 232.0 |
| SMILES | [C-]#[N+]CCC(C1=CC=CC=C1)C2=CC=CC=C2 |
| InChIKey | KTTNVOBIUOVURO-UHFFFAOYSA-N |
Chemical Property Profile of (3-Isocyano-1-phenylpropyl)benzene
Property Insights of (3-Isocyano-1-phenylpropyl)benzene
The XLogP value of 3.7 indicates that (3-Isocyano-1-phenylpropyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 4.4 Ų, (3-Isocyano-1-phenylpropyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-Isocyano-1-phenylpropyl)benzene has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (3-Isocyano-1-phenylpropyl)benzene?
The CAS number of (3-Isocyano-1-phenylpropyl)benzene is 1030268-87-1.
What is the molecular formula of (3-Isocyano-1-phenylpropyl)benzene?
The molecular formula of (3-Isocyano-1-phenylpropyl)benzene is C16H15N.
What is the molecular weight of (3-Isocyano-1-phenylpropyl)benzene?
The molecular weight of (3-Isocyano-1-phenylpropyl)benzene is 221.12045 g/mol.
Where can I buy (3-Isocyano-1-phenylpropyl)benzene?
You can request a quote for (3-Isocyano-1-phenylpropyl)benzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (3-Isocyano-1-phenylpropyl)benzene?
Yes, CoreyChem provides custom synthesis services for (3-Isocyano-1-phenylpropyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.