香柠檬素
TL;DR: 香柠檬素 (CAS 482-46-2) is a chemical compound with molecular formula C21H22O4 and molecular weight 338.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
香柠檬素
4-[(2E)-3,7-dimethylocta-2,6-dienoxy]furo[3,2-g]chromen-7-one
Also Known As: Bergamottin, Bergamotine, Bergaptin, Bergamotin, 5-Geranoxypsoralen
| Molecular Formula | C21H22O4 |
|---|---|
| Molecular Weight | 338.15 g/mol |
| LogP | 5.6107 |
| Topological Polar Surface Area | 52.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 338.1518 |
| Heavy Atoms | 25 |
| Complexity | 997.5761 |
Chemical Identifiers
| CAS Number | 482-46-2 |
|---|---|
| SMILES | CC(=CCC/C(=C/COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)/C)C |
Product Overview
香柠檬素 (CAS 482-46-2), with molecular formula C21H22O4 and molecular weight 338.15 g/mol. IUPAC: 4-[(2E)-3,7-dimethylocta-2,6-dienoxy]furo[3,2-g]chromen-7-one.
Chemical Property Profile of 香柠檬素
Property Insights of 香柠檬素
The XLogP value of 5.6107 indicates that 香柠檬素 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.58 Ų, 香柠檬素 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 香柠檬素 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 香柠檬素?
The CAS number of 香柠檬素 is 482-46-2.
What is the molecular formula of 香柠檬素?
The molecular formula of 香柠檬素 is C21H22O4.
What is the molecular weight of 香柠檬素?
The molecular weight of 香柠檬素 is 338.15 g/mol.
Where can I buy 香柠檬素?
You can request a quote for 香柠檬素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 香柠檬素?
Yes, KEHONG BIO provides custom synthesis services for 香柠檬素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.