Ctk3J8617
TL;DR: Ctk3J8617 (CAS 10018-93-6) is a chemical compound with molecular formula C27H44N7O17P3S and molecular weight 863.1727 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
S-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] hex-2-enethioate
Also Known As: Coenzyme A,S-(2E)-2-hexenoate, S-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] hex-2-enethioate, S-{1-[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5,10,14-tetraoxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} hex-2-enethioate, CTK3J8617
Technical Specifications
| Molecular Formula | C27H44N7O17P3S |
| Molecular Weight | 863.1727 g/mol |
| XLogP | -3.8 |
| Topological Polar Surface Area (TPSA) | 389.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 23 |
| Exact Mass | 863.1727 Da |
| Heavy Atoms | 55 |
| Complexity | 1490.0 |
| SMILES | CCCC=CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O |
| InChIKey | OINXHIBNZUUIMR-ZOGSZLKASA-N |
Product Description
Applications: Ctk3J8617 is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Ctk3J8617 is a fine chemical identified by CAS number 10018-93-6 and the molecular formula C27H44N7O17P3S and a molecular weight of 863.17 g/mol. Synonyms include Coenzyme A,S-(2E)-2-hexenoate and S-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] hex-2-enethioate.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Ctk3J8617
Property Insights of Ctk3J8617
The XLogP value of -3.8 indicates that Ctk3J8617 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 389.0 Ų indicates high polarity, suggesting Ctk3J8617 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ctk3J8617 has 9 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Ctk3J8617?
The CAS number of Ctk3J8617 is 10018-93-6.
What is the molecular formula of Ctk3J8617?
The molecular formula of Ctk3J8617 is C27H44N7O17P3S.
What is the molecular weight of Ctk3J8617?
The molecular weight of Ctk3J8617 is 863.1727 g/mol.
What are the applications of Ctk3J8617?
Ctk3J8617 is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Where can I buy Ctk3J8617?
You can request a quote for Ctk3J8617 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ctk3J8617?
Yes, CoreyChem provides custom synthesis services for Ctk3J8617 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.