3-Iodo-I+/--(isocyanomethyl)benzenemethanol
TL;DR: 3-Iodo-I+/--(isocyanomethyl)benzenemethanol (CAS 1050442-66-4) is a chemical compound with molecular formula C9H8INO and molecular weight 272.96506 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3-iodophenyl)-2-isocyanoethanol
Also Known As: 1-(3-iodophenyl)-2-isocyanoethanol, 1-(3-iodophenyl)-2-isocyano-ethanol, 1-(3-Iodophenyl)-2-isocyanoethan-1-ol, 3-Iodo-alpha-(isocyanomethyl)benzenemethanol, 3-Iodo-I+/--(isocyanomethyl)benzenemethanol
Technical Specifications
| Molecular Formula | C9H8INO |
| Molecular Weight | 272.96506 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 24.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 272.96506 Da |
| Heavy Atoms | 12 |
| Complexity | 186.0 |
| SMILES | [C-]#[N+]CC(C1=CC(=CC=C1)I)O |
| InChIKey | FTBVOJNWFKQZNP-UHFFFAOYSA-N |
Chemical Property Profile of 3-Iodo-I+/--(isocyanomethyl)benzenemethanol
Property Insights of 3-Iodo-I+/--(isocyanomethyl)benzenemethanol
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Iodo-I+/--(isocyanomethyl)benzenemethanol. With a topological polar surface area (TPSA) of 24.6 Ų, 3-Iodo-I+/--(isocyanomethyl)benzenemethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Iodo-I+/--(isocyanomethyl)benzenemethanol has 1 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 3-Iodo-I+/--(isocyanomethyl)benzenemethanol?
The CAS number of 3-Iodo-I+/--(isocyanomethyl)benzenemethanol is 1050442-66-4.
What is the molecular formula of 3-Iodo-I+/--(isocyanomethyl)benzenemethanol?
The molecular formula of 3-Iodo-I+/--(isocyanomethyl)benzenemethanol is C9H8INO.
What is the molecular weight of 3-Iodo-I+/--(isocyanomethyl)benzenemethanol?
The molecular weight of 3-Iodo-I+/--(isocyanomethyl)benzenemethanol is 272.96506 g/mol.
Where can I buy 3-Iodo-I+/--(isocyanomethyl)benzenemethanol?
You can request a quote for 3-Iodo-I+/--(isocyanomethyl)benzenemethanol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Iodo-I+/--(isocyanomethyl)benzenemethanol?
Yes, CoreyChem provides custom synthesis services for 3-Iodo-I+/--(isocyanomethyl)benzenemethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.