Gracilin D
TL;DR: Gracilin D (CAS 106849-36-9) is a chemical compound with molecular formula C23H30O8 and molecular weight 434.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2R,3R,4S,6S,8R,11Z)-4-acetyloxy-11-[(2E)-2-(3,3-dimethylcyclohexylidene)ethylidene]-10-oxo-5,7,9-trioxatricyclo[6.3.0.02,6]undecan-3-yl] propanoate
Also Known As: Gracilin D, 1-(2,4-Dichlorophenyl)-2-phenylpropen-1-one, Difuro(2,3-b:3',2'-d)furan-2(3H)-one, 5-(acetyloxy)-3-((3,3-dimethylcyclohexylidene)ethylidene)hexahydro-4-(1-oxopropoxy)-, (3aS-(3Z(E),3aalpha,3balpha,4alpha,5beta,6aalpha,7aalpha))-, ((1S,2R,3R,4S,6S,8R,11Z)-11-((2E)-2-(3,3-dimethylcyclohexylidene)ethylidene)-10-oxo-3-propoxy-5,7,9-trioxatricyclo(6.3.0.02,6)undecan-4-yl) acetate, ((1S,2R,3R,4S,6S,8R,11Z)-4-acetyloxy-11-((2E)-2-(3,3-dimethylcyclohexylidene)ethylidene)-10-oxo-5,7,9-trioxatricyclo(6.3.0.02,6)undecan-3-yl) propanoate
| Molecular Formula | C23H30O8 |
|---|---|
| Molecular Weight | 434.19 g/mol |
| LogP | 3.1522 |
| Topological Polar Surface Area | 97.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 434.19406 |
| Heavy Atoms | 31 |
| Complexity | 825.4331 |
Chemical Identifiers
| CAS Number | 106849-36-9 |
|---|---|
| SMILES | CCC(=O)O[C@@H]1[C@H]2[C@@H]\3[C@H](O[C@H]2O[C@H]1OC(=O)C)OC(=O)/C3=C\C=C\4/CCCC(C4)(C)C |
Product Overview
Gracilin D (CAS 106849-36-9), with molecular formula C23H30O8 and molecular weight 434.19 g/mol. IUPAC: [(1S,2R,3R,4S,6S,8R,11Z)-4-acetyloxy-11-[(2E)-2-(3,3-dimethylcyclohexylidene)ethylidene]-10-oxo-5,7,9-trioxatricyclo[6.3.0.02,6]undecan-3-yl] propanoate.
Chemical Property Profile of Gracilin D
Property Insights of Gracilin D
The XLogP value of 3.1522 indicates that Gracilin D is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.36 Ų falls within the moderate polarity range, balancing permeability and solubility for Gracilin D. Following Lipinski's Rule of Five, Gracilin D 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 Gracilin D?
The CAS number of Gracilin D is 106849-36-9.
What is the molecular formula of Gracilin D?
The molecular formula of Gracilin D is C23H30O8.
What is the molecular weight of Gracilin D?
The molecular weight of Gracilin D is 434.19 g/mol.
Where can I buy Gracilin D?
You can request a quote for Gracilin D directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Gracilin D?
Yes, KEHONG BIO provides custom synthesis services for Gracilin D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.