Deoxylimonol
TL;DR: Deoxylimonol (CAS 83991-64-4) is a chemical compound with molecular formula C26H32O7 and molecular weight 456.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,7S,10R,12R,13R,18R,19R)-18-(furan-3-yl)-12-hydroxy-9,9,13,19-tetramethyl-4,8,17-trioxapentacyclo[11.8.0.02,7.02,10.014,19]henicos-14-ene-5,16-dione
Also Known As: Deoxylimonol, Deoxy-alpha-limonol, Limonol, deoxy-, (1S,7S,10R,12R,13R,18R,19R)-18-(furan-3-yl)-12-hydroxy-9,9,13,19-tetramethyl-4,8,17-trioxapentacyclo[11.8.0.02,7.02,10.014,19]henicos-14-ene-5,16-dione, (4-aminophenyl)(7-benzyl-3,7-diazabicyclo[3.3.1]non-3-yl)methanone
| Molecular Formula | C26H32O7 |
|---|---|
| Molecular Weight | 456.21 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 95.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 456.2148 |
| Heavy Atoms | 33 |
| Complexity | 926.0 |
Chemical Identifiers
| CAS Number | 83991-64-4 |
|---|---|
| SMILES | C[C@@]12CC[C@H]3[C@](C1=CC(=O)O[C@H]2C4=COC=C4)([C@@H](C[C@@H]5C36COC(=O)C[C@@H]6OC5(C)C)O)C |
| InChIKey | VNNZUOXOSGRYOD-PAAQMEKRSA-N |
Product Overview
Deoxylimonol (CAS 83991-64-4), with molecular formula C26H32O7 and molecular weight 456.21 g/mol. IUPAC: (1S,7S,10R,12R,13R,18R,19R)-18-(furan-3-yl)-12-hydroxy-9,9,13,19-tetramethyl-4,8,17-trioxapentacyclo[11.8.0.02,7.02,10.014,19]henicos-14-ene-5,16-dione.
Chemical Property Profile of Deoxylimonol
Property Insights of Deoxylimonol
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Deoxylimonol. The TPSA of 95.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Deoxylimonol. Following Lipinski's Rule of Five, Deoxylimonol has 1 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 Deoxylimonol?
The CAS number of Deoxylimonol is 83991-64-4.
What is the molecular formula of Deoxylimonol?
The molecular formula of Deoxylimonol is C26H32O7.
What is the molecular weight of Deoxylimonol?
The molecular weight of Deoxylimonol is 456.21 g/mol.
Where can I buy Deoxylimonol?
You can request a quote for Deoxylimonol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Deoxylimonol?
Yes, KEHONG BIO provides custom synthesis services for Deoxylimonol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.