CTK3J8618
TL;DR: CTK3J8618 (CAS 10018-94-7) is a chemical compound with molecular formula C29H48N7O17P3S and molecular weight 891.20404 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] oct-2-enethioate
Also Known As: Coenzyme A,S-(2E)-2-octenoate, S-(2E)-2-octenoate Coenzyme A, 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] oct-2-enethioate, 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] (E)-oct-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} oct-2-enethioate
Technical Specifications
| Molecular Formula | C29H48N7O17P3S |
| Molecular Weight | 891.20404 g/mol |
| XLogP | -2.8 |
| Topological Polar Surface Area (TPSA) | 389.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 25 |
| Exact Mass | 891.20404 Da |
| Heavy Atoms | 57 |
| Complexity | 1530.0 |
| SMILES | CCCCCC=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 | CPSDNAXXKWVYIY-FFJUWABQSA-N |
Product Description
Applications: CTK3J8618 is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies CTK3J8618 (CAS 10018-94-7) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
CTK3J8618 is a fine chemical identified by CAS number 10018-94-7 and the molecular formula C29H48N7O17P3S and a molecular weight of 891.2 g/mol. It is also known as Coenzyme A,S-(2E)-2-octenoate and S-(2E)-2-octenoate Coenzyme A.
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 CTK3J8618
Property Insights of CTK3J8618
The XLogP value of -2.8 indicates that CTK3J8618 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 389.0 Ų indicates high polarity, suggesting CTK3J8618 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CTK3J8618 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 CTK3J8618?
The CAS number of CTK3J8618 is 10018-94-7.
What is the molecular formula of CTK3J8618?
The molecular formula of CTK3J8618 is C29H48N7O17P3S.
What is the molecular weight of CTK3J8618?
The molecular weight of CTK3J8618 is 891.20404 g/mol.
What are the applications of CTK3J8618?
CTK3J8618 is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies CTK3J8618 (CAS 10018-94-7) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS...
Where can I buy CTK3J8618?
You can request a quote for CTK3J8618 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for CTK3J8618?
Yes, CoreyChem provides custom synthesis services for CTK3J8618 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.