茴香素
TL;DR: 茴香素 (CAS 78259-41-3) is a chemical compound with molecular formula C14H18O and molecular weight 202.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
茴香素
1-(3-methylbut-2-enoxy)-4-prop-1-enylbenzene
Also Known As: Foeniculin, Foeniculin, (E)-, 1-(3-methylbut-2-enoxy)-4-prop-1-enylbenzene, 1-(3-Methyl-2-butenoxy)-4-(1-propenyl)benzene, 1-(3-methylbut-2-enoxy)-4-[(E)-prop-1-enyl]benzene
| Molecular Formula | C14H18O |
|---|---|
| Molecular Weight | 202.14 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 202.13577 |
| Heavy Atoms | 15 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 78259-41-3 |
|---|---|
| SMILES | CC=CC1=CC=C(C=C1)OCC=C(C)C |
| InChIKey | JGELFJUQMIUNOO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
茴香素 (CAS 78259-41-3), with molecular formula C14H18O and molecular weight 202.14 g/mol. IUPAC: 1-(3-methylbut-2-enoxy)-4-prop-1-enylbenzene.
Chemical Property Profile of 茴香素
Property Insights of 茴香素
The XLogP value of 4.4 indicates that 茴香素 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 茴香素 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 茴香素 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 茴香素?
The CAS number of 茴香素 is 78259-41-3.
What is the molecular formula of 茴香素?
The molecular formula of 茴香素 is C14H18O.
What is the molecular weight of 茴香素?
The molecular weight of 茴香素 is 202.14 g/mol.
Where can I buy 茴香素?
You can request a quote for 茴香素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 茴香素?
Yes, KEHONG BIO provides custom synthesis services for 茴香素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.