苄基乙基醚
TL;DR: 苄基乙基醚 (CAS 539-30-0) is a chemical compound with molecular formula C9H12O and molecular weight 136.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苄基乙基醚
ethoxymethylbenzene
Also Known As: (Ethoxymethyl)benzene, Benzyl ethyl ether, Ethyl benzyl ether, Ethoxymethylbenzene, Benzyl ethyl oxide
| Molecular Formula | C9H12O |
|---|---|
| Molecular Weight | 136.09 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 136.08882 |
| Heavy Atoms | 10 |
| Complexity | 74.0 |
| Boiling Point | 87.00 to 88.00 °C. @ 30.00 mm Hg |
| Density | 0.947-0.951 (20°) |
| Solubility | Insoluble in water; soluble in oils |
| Refractive Index | 1.493-1.498 |
Chemical Identifiers
| CAS Number | 539-30-0 |
|---|---|
| SMILES | CCOCC1=CC=CC=C1 |
| InChIKey | AXPZDYVDTMMLNB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苄基乙基醚 (CAS 539-30-0), with molecular formula C9H12O and molecular weight 136.09 g/mol. IUPAC: ethoxymethylbenzene.
Chemical Property Profile of 苄基乙基醚
Property Insights of 苄基乙基醚
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苄基乙基醚. With a topological polar surface area (TPSA) of 9.2 Ų, 苄基乙基醚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苄基乙基醚 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 苄基乙基醚?
The CAS number of 苄基乙基醚 is 539-30-0.
What is the molecular formula of 苄基乙基醚?
The molecular formula of 苄基乙基醚 is C9H12O.
What is the molecular weight of 苄基乙基醚?
The molecular weight of 苄基乙基醚 is 136.09 g/mol.
Where can I buy 苄基乙基醚?
You can request a quote for 苄基乙基醚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苄基乙基醚?
Yes, KEHONG BIO provides custom synthesis services for 苄基乙基醚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.