2-Isocyanato-1,3-dimethoxybenzene
TL;DR: 2-Isocyanato-1,3-dimethoxybenzene (CAS 50528-53-5) is a chemical compound with molecular formula C9H9NO3 and molecular weight 179.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-isocyanato-1,3-dimethoxybenzene
Also Known As: 2,6-Dimethoxyphenylisocyanate, 2-isocyanato-1,3-dimethoxybenzene, 2,6-dimethoxyphenyl isocyanate, 2,6-dimethoxybenzenisocyanate, 1,3-Dimethoxy-2-isocyanatobenzene
| Molecular Formula | C9H9NO3 |
|---|---|
| Molecular Weight | 179.06 g/mol |
| LogP | 1.6711 |
| Topological Polar Surface Area | 47.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 179.05824 |
| Heavy Atoms | 13 |
| Complexity | 320.4631 |
Chemical Identifiers
| CAS Number | 50528-53-5 |
|---|---|
| SMILES | COC1=C(C(=CC=C1)OC)N=C=O |
Product Overview
2-Isocyanato-1,3-dimethoxybenzene (CAS 50528-53-5), with molecular formula C9H9NO3 and molecular weight 179.06 g/mol. IUPAC: 2-isocyanato-1,3-dimethoxybenzene.
Chemical Property Profile of 2-Isocyanato-1,3-dimethoxybenzene
Property Insights of 2-Isocyanato-1,3-dimethoxybenzene
The XLogP value of 1.6711 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Isocyanato-1,3-dimethoxybenzene. With a topological polar surface area (TPSA) of 47.89 Ų, 2-Isocyanato-1,3-dimethoxybenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Isocyanato-1,3-dimethoxybenzene has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Isocyanato-1,3-dimethoxybenzene?
The CAS number of 2-Isocyanato-1,3-dimethoxybenzene is 50528-53-5.
What is the molecular formula of 2-Isocyanato-1,3-dimethoxybenzene?
The molecular formula of 2-Isocyanato-1,3-dimethoxybenzene is C9H9NO3.
What is the molecular weight of 2-Isocyanato-1,3-dimethoxybenzene?
The molecular weight of 2-Isocyanato-1,3-dimethoxybenzene is 179.06 g/mol.
Where can I buy 2-Isocyanato-1,3-dimethoxybenzene?
You can request a quote for 2-Isocyanato-1,3-dimethoxybenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Isocyanato-1,3-dimethoxybenzene?
Yes, KEHONG BIO provides custom synthesis services for 2-Isocyanato-1,3-dimethoxybenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.