柠檬烯
TL;DR: 柠檬烯 (CAS 487-06-9) is a chemical compound with molecular formula C11H10O4 and molecular weight 206.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
柠檬烯
5,7-dimethoxychromen-2-one
Also Known As: citropten, 5,7-Dimethoxycoumarin, Limettin, Citroptene, Limetin
| Molecular Formula | C11H10O4 |
|---|---|
| Molecular Weight | 206.06 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 206.0579 |
| Heavy Atoms | 15 |
| Complexity | 274.0 |
| Melting Point | 147 °C |
Chemical Identifiers
| CAS Number | 487-06-9 |
|---|---|
| SMILES | COC1=CC2=C(C=CC(=O)O2)C(=C1)OC |
| InChIKey | NXJCRELRQHZBQA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
柠檬烯 (CAS 487-06-9), with molecular formula C11H10O4 and molecular weight 206.06 g/mol. IUPAC: 5,7-dimethoxychromen-2-one.
Chemical Property Profile of 柠檬烯
Property Insights of 柠檬烯
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 柠檬烯. With a topological polar surface area (TPSA) of 44.8 Ų, 柠檬烯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 柠檬烯 has 0 hydrogen bond donor(s) and 4 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 柠檬烯?
The CAS number of 柠檬烯 is 487-06-9.
What is the molecular formula of 柠檬烯?
The molecular formula of 柠檬烯 is C11H10O4.
What is the molecular weight of 柠檬烯?
The molecular weight of 柠檬烯 is 206.06 g/mol.
Where can I buy 柠檬烯?
You can request a quote for 柠檬烯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 柠檬烯?
Yes, KEHONG BIO provides custom synthesis services for 柠檬烯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.