2-Isocyano-1-methoxy-4-methylbenzene
TL;DR: 2-Isocyano-1-methoxy-4-methylbenzene (CAS 730971-41-2) is a chemical compound with molecular formula C9H9NO and molecular weight 147.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-isocyano-1-methoxy-4-methylbenzene
Also Known As: 2-Methoxy-5-methylphenylisocyanide, 2-isocyano-1-methoxy-4-methylbenzene, 2-methoxy-5-methylbenzenisocyanide, 2-isocyano-1-methoxy-4-methyl-benzene
| Molecular Formula | C9H9NO |
|---|---|
| Molecular Weight | 147.07 g/mol |
| LogP | 2.55441 |
| Topological Polar Surface Area | 13.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 147.06842 |
| Heavy Atoms | 11 |
| Complexity | 298.9213 |
Chemical Identifiers
| CAS Number | 730971-41-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)OC)[N+]#[C-] |
Product Overview
2-Isocyano-1-methoxy-4-methylbenzene (CAS 730971-41-2), with molecular formula C9H9NO and molecular weight 147.07 g/mol. IUPAC: 2-isocyano-1-methoxy-4-methylbenzene.
Chemical Property Profile of 2-Isocyano-1-methoxy-4-methylbenzene
Property Insights of 2-Isocyano-1-methoxy-4-methylbenzene
The XLogP value of 2.55441 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Isocyano-1-methoxy-4-methylbenzene. With a topological polar surface area (TPSA) of 13.59 Ų, 2-Isocyano-1-methoxy-4-methylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Isocyano-1-methoxy-4-methylbenzene has 0 hydrogen bond donor(s) and 1 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-Isocyano-1-methoxy-4-methylbenzene?
The CAS number of 2-Isocyano-1-methoxy-4-methylbenzene is 730971-41-2.
What is the molecular formula of 2-Isocyano-1-methoxy-4-methylbenzene?
The molecular formula of 2-Isocyano-1-methoxy-4-methylbenzene is C9H9NO.
What is the molecular weight of 2-Isocyano-1-methoxy-4-methylbenzene?
The molecular weight of 2-Isocyano-1-methoxy-4-methylbenzene is 147.07 g/mol.
Where can I buy 2-Isocyano-1-methoxy-4-methylbenzene?
You can request a quote for 2-Isocyano-1-methoxy-4-methylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Isocyano-1-methoxy-4-methylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 2-Isocyano-1-methoxy-4-methylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.