4-Methoxy-2-methylphenyl isocyanate
TL;DR: 4-Methoxy-2-methylphenyl isocyanate (CAS 60385-06-0) 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.
1-isocyanato-4-methoxy-2-methylbenzene
Also Known As: 4-Methoxy-2-methylphenyl isocyanate, 1-isocyanato-4-methoxy-2-methylbenzene, 4-methoxy-2-methylphenylisocyanate, 4-Methoxy-o-tolyl isocyanate, Benzene, 1-isocyanato-4-methoxy-2-methyl-
| Molecular Formula | C9H9NO2 |
|---|---|
| Molecular Weight | 163.06 g/mol |
| LogP | 1.97092 |
| Topological Polar Surface Area | 38.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 163.06332 |
| Heavy Atoms | 12 |
| Complexity | 327.30048 |
Chemical Identifiers
| CAS Number | 60385-06-0 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)OC)N=C=O |
Product Overview
4-Methoxy-2-methylphenyl isocyanate (CAS 60385-06-0), with molecular formula C9H9NO2 and molecular weight 163.06 g/mol. IUPAC: 1-isocyanato-4-methoxy-2-methylbenzene.
Chemical Property Profile of 4-Methoxy-2-methylphenyl isocyanate
Property Insights of 4-Methoxy-2-methylphenyl isocyanate
The XLogP value of 1.97092 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methoxy-2-methylphenyl isocyanate. With a topological polar surface area (TPSA) of 38.66 Ų, 4-Methoxy-2-methylphenyl isocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methoxy-2-methylphenyl isocyanate 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
Frequently Asked Questions
What is the CAS number of 4-Methoxy-2-methylphenyl isocyanate?
The CAS number of 4-Methoxy-2-methylphenyl isocyanate is 60385-06-0.
What is the molecular formula of 4-Methoxy-2-methylphenyl isocyanate?
The molecular formula of 4-Methoxy-2-methylphenyl isocyanate is C9H9NO2.
What is the molecular weight of 4-Methoxy-2-methylphenyl isocyanate?
The molecular weight of 4-Methoxy-2-methylphenyl isocyanate is 163.06 g/mol.
Where can I buy 4-Methoxy-2-methylphenyl isocyanate?
You can request a quote for 4-Methoxy-2-methylphenyl isocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methoxy-2-methylphenyl isocyanate?
Yes, KEHONG BIO provides custom synthesis services for 4-Methoxy-2-methylphenyl isocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.