2,5-Dimethoxyphenylisocyanide
TL;DR: 2,5-Dimethoxyphenylisocyanide (CAS 2008-60-8) is a chemical compound with molecular formula C9H9NO2 and molecular weight 163.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-isocyano-1,4-dimethoxybenzene
Also Known As: 2,5-Dimethoxyphenylisocyanide, 2-isocyano-1,4-dimethoxybenzene, CARMANTADINE, 2,5-dimethoxybenzenisocyanide, 2,5-Dimethoxyphenyl isocyanide
| Molecular Formula | C9H9NO2 |
|---|---|
| Molecular Weight | 163.06 g/mol |
| LogP | 2.25459 |
| Topological Polar Surface Area | 22.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 163.06332 |
| Heavy Atoms | 12 |
| Complexity | 314.79483 |
Chemical Identifiers
| CAS Number | 2008-60-8 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OC)[N+]#[C-] |
Product Overview
2,5-Dimethoxyphenylisocyanide (CAS 2008-60-8), with molecular formula C9H9NO2 and molecular weight 163.06 g/mol. IUPAC: 2-isocyano-1,4-dimethoxybenzene.
Chemical Property Profile of 2,5-Dimethoxyphenylisocyanide
Property Insights of 2,5-Dimethoxyphenylisocyanide
The XLogP value of 2.25459 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Dimethoxyphenylisocyanide. With a topological polar surface area (TPSA) of 22.82 Ų, 2,5-Dimethoxyphenylisocyanide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Dimethoxyphenylisocyanide 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
Frequently Asked Questions
What is the CAS number of 2,5-Dimethoxyphenylisocyanide?
The CAS number of 2,5-Dimethoxyphenylisocyanide is 2008-60-8.
What is the molecular formula of 2,5-Dimethoxyphenylisocyanide?
The molecular formula of 2,5-Dimethoxyphenylisocyanide is C9H9NO2.
What is the molecular weight of 2,5-Dimethoxyphenylisocyanide?
The molecular weight of 2,5-Dimethoxyphenylisocyanide is 163.06 g/mol.
Where can I buy 2,5-Dimethoxyphenylisocyanide?
You can request a quote for 2,5-Dimethoxyphenylisocyanide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Dimethoxyphenylisocyanide?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Dimethoxyphenylisocyanide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.