苯甲醚
TL;DR: 苯甲醚 (CAS 100-66-3) is a chemical compound with molecular formula C7H8O and molecular weight 108.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯甲醚
anisole
Also Known As: ANISOLE, Methoxybenzene, Benzene, methoxy-, Methyl phenyl ether, Phenoxymethane
| Molecular Formula | C7H8O |
|---|---|
| Molecular Weight | 108.06 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 108.05752 |
| Heavy Atoms | 8 |
| Complexity | 55.0 |
| Melting Point | -37.3 °C |
| Boiling Point | 155.5 °C AT 760 MM HG |
| Density | 0.9956 AT 18 °C |
| Solubility | SOLUBLE IN ALCOHOL AND ETHER |
| Flash Point | 51.7 °C (NFPA, 2010) |
| Vapor Pressure | 3.54 [mmHg] |
| Refractive Index | 1.51791 AT 20 °C |
Chemical Identifiers
| CAS Number | 100-66-3 |
|---|---|
| SMILES | COC1=CC=CC=C1 |
| InChIKey | RDOXTESZEPMUJZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苯甲醚 (CAS 100-66-3), with molecular formula C7H8O and molecular weight 108.06 g/mol. IUPAC: anisole.
Chemical Property Profile of 苯甲醚
Property Insights of 苯甲醚
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苯甲醚. With a topological polar surface area (TPSA) of 9.2 Ų, 苯甲醚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苯甲醚 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 苯甲醚?
The CAS number of 苯甲醚 is 100-66-3.
What is the molecular formula of 苯甲醚?
The molecular formula of 苯甲醚 is C7H8O.
What is the molecular weight of 苯甲醚?
The molecular weight of 苯甲醚 is 108.06 g/mol.
Where can I buy 苯甲醚?
You can request a quote for 苯甲醚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯甲醚?
Yes, KEHONG BIO provides custom synthesis services for 苯甲醚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.