柠檬苦素
TL;DR: 柠檬苦素 (CAS 1180-71-8) is a chemical compound with molecular formula C26H30O8 and molecular weight 470.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
柠檬苦素
(1R,2R,7S,10R,13R,14R,19S,20S)-19-(furan-3-yl)-9,9,13,20-tetramethyl-4,8,15,18-tetraoxahexacyclo[11.9.0.02,7.02,10.014,16.014,20]docosane-5,12,17-trione
Also Known As: Limonin, Dictamnolactone, Citrolimonin, Obaculactone, Limonine
| Molecular Formula | C26H30O8 |
|---|---|
| Molecular Weight | 470.19 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 1 |
| Exact Mass | 470.19406 |
| Heavy Atoms | 34 |
| Complexity | 1010.0 |
Chemical Identifiers
| CAS Number | 1180-71-8 |
|---|---|
| SMILES | C[C@@]12CC[C@H]3[C@]([C@@]14C(O4)C(=O)O[C@H]2C5=COC=C5)(C(=O)C[C@@H]6[C@@]37COC(=O)C[C@@H]7OC6(C)C)C |
| InChIKey | KBDSLGBFQAGHBE-QDTQPDKMSA-N |
Product Overview
柠檬苦素 (CAS 1180-71-8), with molecular formula C26H30O8 and molecular weight 470.19 g/mol. IUPAC: (1R,2R,7S,10R,13R,14R,19S,20S)-19-(furan-3-yl)-9,9,13,20-tetramethyl-4,8,15,18-tetraoxahexacyclo[11.9.0.02,7.02,10.014,16.014,20]docosane-5,12,17-trione.
Chemical Property Profile of 柠檬苦素
Property Insights of 柠檬苦素
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 柠檬苦素. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 柠檬苦素. Following Lipinski's Rule of Five, 柠檬苦素 has 0 hydrogen bond donor(s) and 8 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 柠檬苦素?
The CAS number of 柠檬苦素 is 1180-71-8.
What is the molecular formula of 柠檬苦素?
The molecular formula of 柠檬苦素 is C26H30O8.
What is the molecular weight of 柠檬苦素?
The molecular weight of 柠檬苦素 is 470.19 g/mol.
Where can I buy 柠檬苦素?
You can request a quote for 柠檬苦素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 柠檬苦素?
Yes, KEHONG BIO provides custom synthesis services for 柠檬苦素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.