异戊基苄基醚
TL;DR: 异戊基苄基醚 (CAS 122-73-6) is a chemical compound with molecular formula C12H18O and molecular weight 178.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
异戊基苄基醚
3-methylbutoxymethylbenzene
Also Known As: Benzyl isoamyl ether, Isoamyl benzyl ether, Benzyl isopentyl ether, Gardenia Ether, gardenia oxide
| Molecular Formula | C12H18O |
|---|---|
| Molecular Weight | 178.14 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 178.13577 |
| Heavy Atoms | 13 |
| Complexity | 114.0 |
Chemical Identifiers
| CAS Number | 122-73-6 |
|---|---|
| SMILES | CC(C)CCOCC1=CC=CC=C1 |
| InChIKey | RXXCIBALSKQCAE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
异戊基苄基醚 (CAS 122-73-6), with molecular formula C12H18O and molecular weight 178.14 g/mol. IUPAC: 3-methylbutoxymethylbenzene.
Chemical Property Profile of 异戊基苄基醚
Property Insights of 异戊基苄基醚
The XLogP value of 3.3 indicates that 异戊基苄基醚 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 异戊基苄基醚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 异戊基苄基醚 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 异戊基苄基醚?
The CAS number of 异戊基苄基醚 is 122-73-6.
What is the molecular formula of 异戊基苄基醚?
The molecular formula of 异戊基苄基醚 is C12H18O.
What is the molecular weight of 异戊基苄基醚?
The molecular weight of 异戊基苄基醚 is 178.14 g/mol.
Where can I buy 异戊基苄基醚?
You can request a quote for 异戊基苄基醚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 异戊基苄基醚?
Yes, KEHONG BIO provides custom synthesis services for 异戊基苄基醚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.