茴香脑
TL;DR: 茴香脑 (CAS 104-46-1) 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.
茴香脑
1-methoxy-4-prop-1-enylbenzene
Also Known As: ANETHOLE, trans-Anethole, p-Propenylanisole, cis-Anethol, 4-Propenylanisole
| Molecular Formula | C10H12O |
|---|---|
| Molecular Weight | 148.09 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 148.08882 |
| Heavy Atoms | 11 |
| Complexity | 121.0 |
Chemical Identifiers
| CAS Number | 104-46-1 |
|---|---|
| SMILES | CC=CC1=CC=C(C=C1)OC |
| InChIKey | RUVINXPYWBROJD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
茴香脑 (CAS 104-46-1), with molecular formula C10H12O and molecular weight 148.09 g/mol. IUPAC: 1-methoxy-4-prop-1-enylbenzene.
Chemical Property Profile of 茴香脑
Property Insights of 茴香脑
The XLogP value of 3.3 indicates that 茴香脑 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 茴香脑 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 茴香脑 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 茴香脑?
The CAS number of 茴香脑 is 104-46-1.
What is the molecular formula of 茴香脑?
The molecular formula of 茴香脑 is C10H12O.
What is the molecular weight of 茴香脑?
The molecular weight of 茴香脑 is 148.09 g/mol.
Where can I buy 茴香脑?
You can request a quote for 茴香脑 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 茴香脑?
Yes, KEHONG BIO provides custom synthesis services for 茴香脑 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.