Chamaedroxide
TL;DR: Chamaedroxide (CAS 82679-43-4) is a chemical compound with molecular formula C20H22O7 and molecular weight 374.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,3S,5S,5'S,6R,7R,9R,10R)-5'-(furan-3-yl)-3-hydroxy-7-methylspiro[12,14-dioxatetracyclo[7.4.1.01,10.05,10]tetradecane-6,3'-oxolane]-2',13-dione
Also Known As: Chamaedroxide, (1S,3S,5S,5'S,6R,7R,9R,10R)-5'-(furan-3-yl)-3-hydroxy-7-methylspiro[12,14-dioxatetracyclo[7.4.1.01,10.05,10]tetradecane-6,3'-oxolane]-2',13-dione, (3'R,3aS,5S,5'S,6aS,8R,10R,10aR)-5'-(Furan-3-yl)-5-hydroxy-8-methylhexahydro-1H,3H,8H-spiro[3a,10-epoxynaphtho[1,8a-c]furan-7,3'-oxolane]-2',3-dione
| Molecular Formula | C20H22O7 |
|---|---|
| Molecular Weight | 374.14 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 95.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 374.13657 |
| Heavy Atoms | 27 |
| Complexity | 723.0 |
Chemical Identifiers
| CAS Number | 82679-43-4 |
|---|---|
| SMILES | C[C@@H]1C[C@@H]2[C@@]34COC(=O)[C@]3(O2)C[C@H](C[C@@H]4[C@@]15C[C@H](OC5=O)C6=COC=C6)O |
| InChIKey | NSCSTGLJZSMRIY-RWZNVSPQSA-N |
Product Overview
Chamaedroxide (CAS 82679-43-4), with molecular formula C20H22O7 and molecular weight 374.14 g/mol. IUPAC: (1S,3S,5S,5'S,6R,7R,9R,10R)-5'-(furan-3-yl)-3-hydroxy-7-methylspiro[12,14-dioxatetracyclo[7.4.1.01,10.05,10]tetradecane-6,3'-oxolane]-2',13-dione.
Chemical Property Profile of Chamaedroxide
Property Insights of Chamaedroxide
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chamaedroxide. The TPSA of 95.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Chamaedroxide. Following Lipinski's Rule of Five, Chamaedroxide 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 Chamaedroxide?
The CAS number of Chamaedroxide is 82679-43-4.
What is the molecular formula of Chamaedroxide?
The molecular formula of Chamaedroxide is C20H22O7.
What is the molecular weight of Chamaedroxide?
The molecular weight of Chamaedroxide is 374.14 g/mol.
Where can I buy Chamaedroxide?
You can request a quote for Chamaedroxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chamaedroxide?
Yes, KEHONG BIO provides custom synthesis services for Chamaedroxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.