4-Bromo-2-(1-isocyanoethyl)-1-methoxybenzene
TL;DR: 4-Bromo-2-(1-isocyanoethyl)-1-methoxybenzene (CAS 1041182-13-1) is a chemical compound with molecular formula C10H10BrNO and molecular weight 238.99458 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-bromo-2-(1-isocyanoethyl)-1-methoxybenzene
Also Known As: 4-bromo-2-(1-isocyanoethyl)-1-methoxybenzene, 4-bromo-2-(1-isocyanoethyl)-1-methoxy-benzene
Technical Specifications
| Molecular Formula | C10H10BrNO |
| Molecular Weight | 238.99458 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 13.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 238.99458 Da |
| Heavy Atoms | 13 |
| Complexity | 210.0 |
| SMILES | CC(C1=C(C=CC(=C1)Br)OC)[N+]#[C-] |
| InChIKey | LZYUIYNMTOTCHE-UHFFFAOYSA-N |
Chemical Property Profile of 4-Bromo-2-(1-isocyanoethyl)-1-methoxybenzene
Property Insights of 4-Bromo-2-(1-isocyanoethyl)-1-methoxybenzene
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromo-2-(1-isocyanoethyl)-1-methoxybenzene. With a topological polar surface area (TPSA) of 13.6 Ų, 4-Bromo-2-(1-isocyanoethyl)-1-methoxybenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-2-(1-isocyanoethyl)-1-methoxybenzene has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Bromo-2-(1-isocyanoethyl)-1-methoxybenzene?
The CAS number of 4-Bromo-2-(1-isocyanoethyl)-1-methoxybenzene is 1041182-13-1.
What is the molecular formula of 4-Bromo-2-(1-isocyanoethyl)-1-methoxybenzene?
The molecular formula of 4-Bromo-2-(1-isocyanoethyl)-1-methoxybenzene is C10H10BrNO.
What is the molecular weight of 4-Bromo-2-(1-isocyanoethyl)-1-methoxybenzene?
The molecular weight of 4-Bromo-2-(1-isocyanoethyl)-1-methoxybenzene is 238.99458 g/mol.
Where can I buy 4-Bromo-2-(1-isocyanoethyl)-1-methoxybenzene?
You can request a quote for 4-Bromo-2-(1-isocyanoethyl)-1-methoxybenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Bromo-2-(1-isocyanoethyl)-1-methoxybenzene?
Yes, CoreyChem provides custom synthesis services for 4-Bromo-2-(1-isocyanoethyl)-1-methoxybenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.