Deoxylimonin
TL;DR: Deoxylimonin (CAS 989-23-1) is a chemical compound with molecular formula C26H30O7 and molecular weight 454.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
18-(furan-3-yl)-9,9,13,19-tetramethyl-4,8,17-trioxapentacyclo[11.8.0.02,7.02,10.014,19]henicos-14-ene-5,12,16-trione
Also Known As: Deoxylimonin, DESOXYLIMONIN, AI3-37933, 18-(furan-3-yl)-9,9,13,19-tetramethyl-4,8,17-trioxapentacyclo[11.8.0.02,7.02,10.014,19]henicos-14-ene-5,12,16-trione, Limonoic acid, 14,15-deepoxy-14,15-dehydro-, di-delta-lactone
| Molecular Formula | C26H30O7 |
|---|---|
| Molecular Weight | 454.20 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 92.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 454.19916 |
| Heavy Atoms | 33 |
| Complexity | 968.0 |
| Melting Point | 323 - 325 °C |
Chemical Identifiers
| CAS Number | 989-23-1 |
|---|---|
| SMILES | CC1(C2CC(=O)C3(C(C24COC(=O)CC4O1)CCC5(C3=CC(=O)OC5C6=COC=C6)C)C)C |
| InChIKey | QUTATOGBENCRSS-UHFFFAOYSA-N |
Product Overview
Deoxylimonin (CAS 989-23-1), with molecular formula C26H30O7 and molecular weight 454.20 g/mol. IUPAC: 18-(furan-3-yl)-9,9,13,19-tetramethyl-4,8,17-trioxapentacyclo[11.8.0.02,7.02,10.014,19]henicos-14-ene-5,12,16-trione.
Chemical Property Profile of Deoxylimonin
Property Insights of Deoxylimonin
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Deoxylimonin. The TPSA of 92.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Deoxylimonin. Following Lipinski's Rule of Five, Deoxylimonin has 0 hydrogen bond donor(s) and 7 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 Deoxylimonin?
The CAS number of Deoxylimonin is 989-23-1.
What is the molecular formula of Deoxylimonin?
The molecular formula of Deoxylimonin is C26H30O7.
What is the molecular weight of Deoxylimonin?
The molecular weight of Deoxylimonin is 454.20 g/mol.
Where can I buy Deoxylimonin?
You can request a quote for Deoxylimonin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Deoxylimonin?
Yes, KEHONG BIO provides custom synthesis services for Deoxylimonin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.