苯苄醚
TL;DR: 苯苄醚 (CAS 946-80-5) is a chemical compound with molecular formula C13H12O and molecular weight 184.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯苄醚
phenoxymethylbenzene
Also Known As: Benzyl phenyl ether, (benzyloxy)benzene, Benzyloxybenzene, Phenyl benzyl ether, phenoxymethylbenzene
| Molecular Formula | C13H12O |
|---|---|
| Molecular Weight | 184.09 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 184.08882 |
| Heavy Atoms | 14 |
| Complexity | 143.0 |
Chemical Identifiers
| CAS Number | 946-80-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC2=CC=CC=C2 |
| InChIKey | BOTNYLSAWDQNEX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苯苄醚 (CAS 946-80-5), with molecular formula C13H12O and molecular weight 184.09 g/mol. IUPAC: phenoxymethylbenzene.
Chemical Property Profile of 苯苄醚
Property Insights of 苯苄醚
The XLogP value of 3.8 indicates that 苯苄醚 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 苯苄醚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苯苄醚 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 苯苄醚?
The CAS number of 苯苄醚 is 946-80-5.
What is the molecular formula of 苯苄醚?
The molecular formula of 苯苄醚 is C13H12O.
What is the molecular weight of 苯苄醚?
The molecular weight of 苯苄醚 is 184.09 g/mol.
Where can I buy 苯苄醚?
You can request a quote for 苯苄醚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯苄醚?
Yes, KEHONG BIO provides custom synthesis services for 苯苄醚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.