1,2-Diallyloxybenzene
TL;DR: 1,2-Diallyloxybenzene (CAS 4218-87-5) is a chemical compound with molecular formula C12H14O2 and molecular weight 190.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-bis(prop-2-enoxy)benzene
Also Known As: 1,2-Diallyloxybenzene, Catechol diallyl ether, 1,2-Bis(allyloxy)benzene, Pyrocatechol diallyl ether, diallyloxy benzene
| Molecular Formula | C12H14O2 |
|---|---|
| Molecular Weight | 190.10 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 190.09938 |
| Heavy Atoms | 14 |
| Complexity | 157.0 |
Chemical Identifiers
| CAS Number | 4218-87-5 |
|---|---|
| SMILES | C=CCOC1=CC=CC=C1OCC=C |
| InChIKey | GZWLFCGQNCRLIN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-Diallyloxybenzene (CAS 4218-87-5), with molecular formula C12H14O2 and molecular weight 190.10 g/mol. IUPAC: 1,2-bis(prop-2-enoxy)benzene.
Chemical Property Profile of 1,2-Diallyloxybenzene
Property Insights of 1,2-Diallyloxybenzene
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Diallyloxybenzene. With a topological polar surface area (TPSA) of 18.5 Ų, 1,2-Diallyloxybenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Diallyloxybenzene has 0 hydrogen bond donor(s) and 2 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 1,2-Diallyloxybenzene?
The CAS number of 1,2-Diallyloxybenzene is 4218-87-5.
What is the molecular formula of 1,2-Diallyloxybenzene?
The molecular formula of 1,2-Diallyloxybenzene is C12H14O2.
What is the molecular weight of 1,2-Diallyloxybenzene?
The molecular weight of 1,2-Diallyloxybenzene is 190.10 g/mol.
Where can I buy 1,2-Diallyloxybenzene?
You can request a quote for 1,2-Diallyloxybenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Diallyloxybenzene?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Diallyloxybenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.