Benzene, 1-isocyanato-2-methoxy-
TL;DR: Benzene, 1-isocyanato-2-methoxy- (CAS 700-87-8) is a chemical compound with molecular formula C8H7NO2 and molecular weight 149.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-isocyanato-2-methoxybenzene
Also Known As: 2-Methoxyphenyl isocyanate, 1-Isocyanato-2-methoxybenzene, 2-Methoxyphenylisocyanate, 2-Isocyanatoanisole, Benzene, 1-isocyanato-2-methoxy-
| Molecular Formula | C8H7NO2 |
|---|---|
| Molecular Weight | 149.05 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 149.04768 |
| Heavy Atoms | 11 |
| Complexity | 163.0 |
Chemical Identifiers
| CAS Number | 700-87-8 |
|---|---|
| SMILES | COC1=CC=CC=C1N=C=O |
| InChIKey | SUVCZZADQDCIEQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 1-isocyanato-2-methoxy- (CAS 700-87-8), with molecular formula C8H7NO2 and molecular weight 149.05 g/mol. IUPAC: 1-isocyanato-2-methoxybenzene.
Chemical Property Profile of Benzene, 1-isocyanato-2-methoxy-
Property Insights of Benzene, 1-isocyanato-2-methoxy-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzene, 1-isocyanato-2-methoxy-. With a topological polar surface area (TPSA) of 38.7 Ų, Benzene, 1-isocyanato-2-methoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1-isocyanato-2-methoxy- 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 Benzene, 1-isocyanato-2-methoxy-?
The CAS number of Benzene, 1-isocyanato-2-methoxy- is 700-87-8.
What is the molecular formula of Benzene, 1-isocyanato-2-methoxy-?
The molecular formula of Benzene, 1-isocyanato-2-methoxy- is C8H7NO2.
What is the molecular weight of Benzene, 1-isocyanato-2-methoxy-?
The molecular weight of Benzene, 1-isocyanato-2-methoxy- is 149.05 g/mol.
Where can I buy Benzene, 1-isocyanato-2-methoxy-?
You can request a quote for Benzene, 1-isocyanato-2-methoxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1-isocyanato-2-methoxy-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-isocyanato-2-methoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.