1-Bromo-2-(1-isocyanoethyl)-4-methylbenzene
TL;DR: 1-Bromo-2-(1-isocyanoethyl)-4-methylbenzene (CAS 1041649-63-1) is a chemical compound with molecular formula C10H10BrN and molecular weight 222.99966 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-bromo-2-(1-isocyanoethyl)-4-methylbenzene
Also Known As: 1-bromo-2-(1-isocyanoethyl)-4-methylbenzene, 1-bromo-2-(1-isocyanoethyl)-4-methyl-benzene
Technical Specifications
| Molecular Formula | C10H10BrN |
| Molecular Weight | 222.99966 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 4.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 222.99966 Da |
| Heavy Atoms | 12 |
| Complexity | 193.0 |
| SMILES | CC1=CC(=C(C=C1)Br)C(C)[N+]#[C-] |
| InChIKey | QXASCZWATCJBQH-UHFFFAOYSA-N |
Chemical Property Profile of 1-Bromo-2-(1-isocyanoethyl)-4-methylbenzene
Property Insights of 1-Bromo-2-(1-isocyanoethyl)-4-methylbenzene
The XLogP value of 3.0 indicates that 1-Bromo-2-(1-isocyanoethyl)-4-methylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 4.4 Ų, 1-Bromo-2-(1-isocyanoethyl)-4-methylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Bromo-2-(1-isocyanoethyl)-4-methylbenzene 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 1-Bromo-2-(1-isocyanoethyl)-4-methylbenzene?
The CAS number of 1-Bromo-2-(1-isocyanoethyl)-4-methylbenzene is 1041649-63-1.
What is the molecular formula of 1-Bromo-2-(1-isocyanoethyl)-4-methylbenzene?
The molecular formula of 1-Bromo-2-(1-isocyanoethyl)-4-methylbenzene is C10H10BrN.
What is the molecular weight of 1-Bromo-2-(1-isocyanoethyl)-4-methylbenzene?
The molecular weight of 1-Bromo-2-(1-isocyanoethyl)-4-methylbenzene is 222.99966 g/mol.
Where can I buy 1-Bromo-2-(1-isocyanoethyl)-4-methylbenzene?
You can request a quote for 1-Bromo-2-(1-isocyanoethyl)-4-methylbenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Bromo-2-(1-isocyanoethyl)-4-methylbenzene?
Yes, CoreyChem provides custom synthesis services for 1-Bromo-2-(1-isocyanoethyl)-4-methylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.