异甲基丁香油酚
TL;DR: 异甲基丁香油酚 (CAS 93-16-3) is a chemical compound with molecular formula C11H14O2 and molecular weight 178.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
异甲基丁香油酚
1,2-dimethoxy-4-prop-1-enylbenzene
Also Known As: Methyl isoeugenol, Methylisoeugenol, Isomethyleugenol, Isohomogenol, Propenylguaiacol
| Molecular Formula | C11H14O2 |
|---|---|
| Molecular Weight | 178.10 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 178.09938 |
| Heavy Atoms | 13 |
| Complexity | 165.0 |
Chemical Identifiers
| CAS Number | 93-16-3 |
|---|---|
| SMILES | CC=CC1=CC(=C(C=C1)OC)OC |
| InChIKey | NNWHUJCUHAELCL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
异甲基丁香油酚 (CAS 93-16-3), with molecular formula C11H14O2 and molecular weight 178.10 g/mol. IUPAC: 1,2-dimethoxy-4-prop-1-enylbenzene.
Chemical Property Profile of 异甲基丁香油酚
Property Insights of 异甲基丁香油酚
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 异甲基丁香油酚. With a topological polar surface area (TPSA) of 18.5 Ų, 异甲基丁香油酚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 异甲基丁香油酚 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 异甲基丁香油酚?
The CAS number of 异甲基丁香油酚 is 93-16-3.
What is the molecular formula of 异甲基丁香油酚?
The molecular formula of 异甲基丁香油酚 is C11H14O2.
What is the molecular weight of 异甲基丁香油酚?
The molecular weight of 异甲基丁香油酚 is 178.10 g/mol.
Where can I buy 异甲基丁香油酚?
You can request a quote for 异甲基丁香油酚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 异甲基丁香油酚?
Yes, KEHONG BIO provides custom synthesis services for 异甲基丁香油酚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.