甲基丁香酚
TL;DR: 甲基丁香酚 (CAS 93-15-2) 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.
甲基丁香酚
1,2-dimethoxy-4-prop-2-enylbenzene
Also Known As: Methyl eugenol, METHYLEUGENOL, O-Methyleugenol, 4-Allylveratrole, 4-Allyl-1,2-dimethoxybenzene
| 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 | 4 |
| Exact Mass | 178.09938 |
| Heavy Atoms | 13 |
| Complexity | 156.0 |
| Melting Point | -3.9 °C |
| Boiling Point | 254.7 °C at 760 mmHg |
| Density | 1.0396 at 20.0 °C |
| Solubility | less than 1 mg/mL at 66 °F (NTP, 1992) |
| Flash Point | 98.9 °C |
| Vapor Pressure | 0.02 mmHg at 20.0 °C ; 1 mmHg at 85.0 °C |
| Refractive Index | = 1.5340 at 20 °C |
Chemical Identifiers
| CAS Number | 93-15-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CC=C)OC |
| InChIKey | ZYEMGPIYFIJGTP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
甲基丁香酚 (CAS 93-15-2), with molecular formula C11H14O2 and molecular weight 178.10 g/mol. IUPAC: 1,2-dimethoxy-4-prop-2-enylbenzene.
Chemical Property Profile of 甲基丁香酚
Property Insights of 甲基丁香酚
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 甲基丁香酚. With a topological polar surface area (TPSA) of 18.5 Ų, 甲基丁香酚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 甲基丁香酚 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 甲基丁香酚?
The CAS number of 甲基丁香酚 is 93-15-2.
What is the molecular formula of 甲基丁香酚?
The molecular formula of 甲基丁香酚 is C11H14O2.
What is the molecular weight of 甲基丁香酚?
The molecular weight of 甲基丁香酚 is 178.10 g/mol.
Where can I buy 甲基丁香酚?
You can request a quote for 甲基丁香酚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 甲基丁香酚?
Yes, KEHONG BIO provides custom synthesis services for 甲基丁香酚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.