1-(Isocyanomethyl)-2,3-dimethoxybenzene
TL;DR: 1-(Isocyanomethyl)-2,3-dimethoxybenzene (CAS 1031257-18-7) is a chemical compound with molecular formula C10H11NO2 and molecular weight 177.07898 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(isocyanomethyl)-2,3-dimethoxybenzene
Also Known As: 1-(isocyanomethyl)-2,3-dimethoxybenzene, TOS-BB-0797
Technical Specifications
| Molecular Formula | C10H11NO2 |
| Molecular Weight | 177.07898 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 22.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 177.07898 Da |
| Heavy Atoms | 13 |
| Complexity | 196.0 |
| SMILES | COC1=CC=CC(=C1OC)C[N+]#[C-] |
| InChIKey | ROLISQAFJACPTO-UHFFFAOYSA-N |
Chemical Property Profile of 1-(Isocyanomethyl)-2,3-dimethoxybenzene
Property Insights of 1-(Isocyanomethyl)-2,3-dimethoxybenzene
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Isocyanomethyl)-2,3-dimethoxybenzene. With a topological polar surface area (TPSA) of 22.8 Ų, 1-(Isocyanomethyl)-2,3-dimethoxybenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Isocyanomethyl)-2,3-dimethoxybenzene has 0 hydrogen bond donor(s) and 3 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-(Isocyanomethyl)-2,3-dimethoxybenzene?
The CAS number of 1-(Isocyanomethyl)-2,3-dimethoxybenzene is 1031257-18-7.
What is the molecular formula of 1-(Isocyanomethyl)-2,3-dimethoxybenzene?
The molecular formula of 1-(Isocyanomethyl)-2,3-dimethoxybenzene is C10H11NO2.
What is the molecular weight of 1-(Isocyanomethyl)-2,3-dimethoxybenzene?
The molecular weight of 1-(Isocyanomethyl)-2,3-dimethoxybenzene is 177.07898 g/mol.
Where can I buy 1-(Isocyanomethyl)-2,3-dimethoxybenzene?
You can request a quote for 1-(Isocyanomethyl)-2,3-dimethoxybenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(Isocyanomethyl)-2,3-dimethoxybenzene?
Yes, CoreyChem provides custom synthesis services for 1-(Isocyanomethyl)-2,3-dimethoxybenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.