草蒿脑
TL;DR: 草蒿脑 (CAS 140-67-0) is a chemical compound with molecular formula C10H12O and molecular weight 148.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
草蒿脑
1-methoxy-4-prop-2-enylbenzene
Also Known As: Estragole, 4-Allylanisole, p-Allylanisole, Methyl chavicol, Esdragol
| Molecular Formula | C10H12O |
|---|---|
| Molecular Weight | 148.09 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 148.08882 |
| Heavy Atoms | 11 |
| Complexity | 112.0 |
| Boiling Point | 216.1 °C at 764 mmHg |
| Density | 0.9645 at 21.1 °C - Less dense than water; will float |
| Solubility | Insoluble (<1 mg/ml) (NTP, 1992) |
| Flash Point | 81.1 °C |
| Vapor Pressure | 0.05 [mmHg] |
| Refractive Index | 1.5195 at 25 °C |
Chemical Identifiers
| CAS Number | 140-67-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CC=C |
| InChIKey | ZFMSMUAANRJZFM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
草蒿脑 (CAS 140-67-0), with molecular formula C10H12O and molecular weight 148.09 g/mol. IUPAC: 1-methoxy-4-prop-2-enylbenzene.
Chemical Property Profile of 草蒿脑
Property Insights of 草蒿脑
The XLogP value of 3.4 indicates that 草蒿脑 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 草蒿脑 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 草蒿脑 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 草蒿脑?
The CAS number of 草蒿脑 is 140-67-0.
What is the molecular formula of 草蒿脑?
The molecular formula of 草蒿脑 is C10H12O.
What is the molecular weight of 草蒿脑?
The molecular weight of 草蒿脑 is 148.09 g/mol.
Where can I buy 草蒿脑?
You can request a quote for 草蒿脑 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 草蒿脑?
Yes, KEHONG BIO provides custom synthesis services for 草蒿脑 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.