5-Isocyanato-1,2,3-trimethoxybenzene
TL;DR: 5-Isocyanato-1,2,3-trimethoxybenzene (CAS 1016-19-9) is a chemical compound with molecular formula C10H11NO4 and molecular weight 209.0688 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-isocyanato-1,2,3-trimethoxybenzene
Also Known As: 3,4,5-Trimethoxyphenyl isocyanate, 5-Isocyanato-1,2,3-trimethoxybenzene, null, 3,4,5-trimethoxyphenylisocyanate, Benzene, 5-isocyanato-1,2,3-trimethoxy-
Application Areas
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H11NO4 |
| Molecular Weight | 209.0688 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 57.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 209.0688 Da |
| Heavy Atoms | 15 |
| Complexity | 226.0 |
| SMILES | COC1=CC(=CC(=C1OC)OC)N=C=O |
| InChIKey | MJJXWPHZDBIHIM-UHFFFAOYSA-N |
Chemical Property Profile of 5-Isocyanato-1,2,3-trimethoxybenzene
Property Insights of 5-Isocyanato-1,2,3-trimethoxybenzene
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Isocyanato-1,2,3-trimethoxybenzene. With a topological polar surface area (TPSA) of 57.1 Ų, 5-Isocyanato-1,2,3-trimethoxybenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Isocyanato-1,2,3-trimethoxybenzene has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-Isocyanato-1,2,3-trimethoxybenzene?
The CAS number of 5-Isocyanato-1,2,3-trimethoxybenzene is 1016-19-9.
What is the molecular formula of 5-Isocyanato-1,2,3-trimethoxybenzene?
The molecular formula of 5-Isocyanato-1,2,3-trimethoxybenzene is C10H11NO4.
What is the molecular weight of 5-Isocyanato-1,2,3-trimethoxybenzene?
The molecular weight of 5-Isocyanato-1,2,3-trimethoxybenzene is 209.0688 g/mol.
Where can I buy 5-Isocyanato-1,2,3-trimethoxybenzene?
You can request a quote for 5-Isocyanato-1,2,3-trimethoxybenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Isocyanato-1,2,3-trimethoxybenzene?
Yes, CoreyChem provides custom synthesis services for 5-Isocyanato-1,2,3-trimethoxybenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.