1-(Allyloxy)-2,3,5-trimethylbenzene
TL;DR: 1-(Allyloxy)-2,3,5-trimethylbenzene (CAS 53546-78-4) is a chemical compound with molecular formula C12H16O and molecular weight 176.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,5-trimethyl-3-prop-2-enoxybenzene
Also Known As: 1-(allyloxy)-2,3,5-trimethylbenzene, allyl (2,3,5-trimethylphenyl) ether, (2,3,5-Trimethylphenyl)allyl ether, 1,2,5-trimethyl-3-prop-2-enoxybenzene, allyl-(2,3,5-trimethyl-phenyl)-ether
| Molecular Formula | C12H16O |
|---|---|
| Molecular Weight | 176.12 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 176.12012 |
| Heavy Atoms | 13 |
| Complexity | 165.0 |
Chemical Identifiers
| CAS Number | 53546-78-4 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)OCC=C)C)C |
| InChIKey | HKEUTDMEFUDCHE-UHFFFAOYSA-N |
Product Overview
1-(Allyloxy)-2,3,5-trimethylbenzene (CAS 53546-78-4), with molecular formula C12H16O and molecular weight 176.12 g/mol. IUPAC: 1,2,5-trimethyl-3-prop-2-enoxybenzene.
Chemical Property Profile of 1-(Allyloxy)-2,3,5-trimethylbenzene
Property Insights of 1-(Allyloxy)-2,3,5-trimethylbenzene
The XLogP value of 3.6 indicates that 1-(Allyloxy)-2,3,5-trimethylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 1-(Allyloxy)-2,3,5-trimethylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Allyloxy)-2,3,5-trimethylbenzene 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 1-(Allyloxy)-2,3,5-trimethylbenzene?
The CAS number of 1-(Allyloxy)-2,3,5-trimethylbenzene is 53546-78-4.
What is the molecular formula of 1-(Allyloxy)-2,3,5-trimethylbenzene?
The molecular formula of 1-(Allyloxy)-2,3,5-trimethylbenzene is C12H16O.
What is the molecular weight of 1-(Allyloxy)-2,3,5-trimethylbenzene?
The molecular weight of 1-(Allyloxy)-2,3,5-trimethylbenzene is 176.12 g/mol.
Where can I buy 1-(Allyloxy)-2,3,5-trimethylbenzene?
You can request a quote for 1-(Allyloxy)-2,3,5-trimethylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Allyloxy)-2,3,5-trimethylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(Allyloxy)-2,3,5-trimethylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.