2-Isocyanato-1-methoxy-4-methylbenzene
TL;DR: 2-Isocyanato-1-methoxy-4-methylbenzene (CAS 59741-04-7) 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-isocyanato-1-methoxy-4-methylbenzene
Also Known As: 2-Methoxy-5-methylphenyl isocyanate, 2-isocyanato-1-methoxy-4-methylbenzene, 2-methoxy-5-methylphenylisocyanate, 6-Methoxy-m-tolyl isocyanate, 2-isocyanato-1-methoxy-4-methyl-benzene
| 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 | 59741-04-7 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)OC)N=C=O |
Product Overview
2-Isocyanato-1-methoxy-4-methylbenzene (CAS 59741-04-7), with molecular formula C9H9NO2 and molecular weight 163.06 g/mol. IUPAC: 2-isocyanato-1-methoxy-4-methylbenzene.
Chemical Property Profile of 2-Isocyanato-1-methoxy-4-methylbenzene
Property Insights of 2-Isocyanato-1-methoxy-4-methylbenzene
The XLogP value of 1.97092 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Isocyanato-1-methoxy-4-methylbenzene. With a topological polar surface area (TPSA) of 38.66 Ų, 2-Isocyanato-1-methoxy-4-methylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Isocyanato-1-methoxy-4-methylbenzene 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 2-Isocyanato-1-methoxy-4-methylbenzene?
The CAS number of 2-Isocyanato-1-methoxy-4-methylbenzene is 59741-04-7.
What is the molecular formula of 2-Isocyanato-1-methoxy-4-methylbenzene?
The molecular formula of 2-Isocyanato-1-methoxy-4-methylbenzene is C9H9NO2.
What is the molecular weight of 2-Isocyanato-1-methoxy-4-methylbenzene?
The molecular weight of 2-Isocyanato-1-methoxy-4-methylbenzene is 163.06 g/mol.
Where can I buy 2-Isocyanato-1-methoxy-4-methylbenzene?
You can request a quote for 2-Isocyanato-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-Isocyanato-1-methoxy-4-methylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 2-Isocyanato-1-methoxy-4-methylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.