Adenosine,2-(trifluoromethyl)-(7CI,8CI,9CI)
TL;DR: Adenosine,2-(trifluoromethyl)-(7CI,8CI,9CI) (CAS 4627-50-3) is a chemical compound with molecular formula C23H38O2S2 and molecular weight 410.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 7'-ethyl-1',4'a,7'-trimethylspiro[1,3-dithiolane-2,8'-2,3,4,4b,5,6,8a,9,10,10a-decahydrophenanthrene]-1'-carboxylate
Also Known As: Adenosine,2-(trifluoromethyl)-(7CI,8CI,9CI), methyl 2'-ethyl-2',4b',8'-trimethyldodecahydro-2'h-spiro[1,3-dithiolane-2,1'-phenanthrene]-8'-carboxylate, methyl 7'-ethyl-1',4'a,7'-trimethylspiro[1,3-dithiolane-2,8'-2,3,4,4b,5,6,8a,9,10,10a-decahydrophenanthrene]-1'-carboxylate, Methyl 2'-ethyl-2',4'b,8'-trimethyldodecahydro-2'H-spiro[[1,3]dithiolane-2,1'-phenanthrene]-8'-carboxylate
| Molecular Formula | C23H38O2S2 |
|---|---|
| Molecular Weight | 410.23 g/mol |
| LogP | 7.0 |
| Topological Polar Surface Area | 76.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 410.23132 |
| Heavy Atoms | 27 |
| Complexity | 601.0 |
Chemical Identifiers
| CAS Number | 4627-50-3 |
|---|---|
| SMILES | CCC1(CCC2C(C13SCCS3)CCC4C2(CCCC4(C)C(=O)OC)C)C |
| InChIKey | OYCPIYLGNKGHOM-UHFFFAOYSA-N |
Product Overview
Adenosine,2-(trifluoromethyl)-(7CI,8CI,9CI) (CAS 4627-50-3), with molecular formula C23H38O2S2 and molecular weight 410.23 g/mol. IUPAC: methyl 7'-ethyl-1',4'a,7'-trimethylspiro[1,3-dithiolane-2,8'-2,3,4,4b,5,6,8a,9,10,10a-decahydrophenanthrene]-1'-carboxylate.
Chemical Property Profile of Adenosine,2-(trifluoromethyl)-(7CI,8CI,9CI)
Property Insights of Adenosine,2-(trifluoromethyl)-(7CI,8CI,9CI)
The XLogP value of 7.0 indicates that Adenosine,2-(trifluoromethyl)-(7CI,8CI,9CI) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Adenosine,2-(trifluoromethyl)-(7CI,8CI,9CI). Following Lipinski's Rule of Five, Adenosine,2-(trifluoromethyl)-(7CI,8CI,9CI) has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Adenosine,2-(trifluoromethyl)-(7CI,8CI,9CI)?
The CAS number of Adenosine,2-(trifluoromethyl)-(7CI,8CI,9CI) is 4627-50-3.
What is the molecular formula of Adenosine,2-(trifluoromethyl)-(7CI,8CI,9CI)?
The molecular formula of Adenosine,2-(trifluoromethyl)-(7CI,8CI,9CI) is C23H38O2S2.
What is the molecular weight of Adenosine,2-(trifluoromethyl)-(7CI,8CI,9CI)?
The molecular weight of Adenosine,2-(trifluoromethyl)-(7CI,8CI,9CI) is 410.23 g/mol.
Where can I buy Adenosine,2-(trifluoromethyl)-(7CI,8CI,9CI)?
You can request a quote for Adenosine,2-(trifluoromethyl)-(7CI,8CI,9CI) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Adenosine,2-(trifluoromethyl)-(7CI,8CI,9CI)?
Yes, KEHONG BIO provides custom synthesis services for Adenosine,2-(trifluoromethyl)-(7CI,8CI,9CI) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.