trans-2-dodecoyl-CoA
TL;DR: trans-2-dodecoyl-CoA (CAS 1066-12-2) is a chemical compound with molecular formula C33H56N7O17P3S and molecular weight 947.2666 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] dodec-2-enethioate
Also Known As: trans-2-dodecoyl-CoA, Coenzyme A,S-(2E)-2-dodecenoate, 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] dodec-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} dodec-2-enethioate, CTK4A4669
Technical Specifications
| Molecular Formula | C33H56N7O17P3S |
| Molecular Weight | 947.2666 g/mol |
| XLogP | -0.6 |
| Topological Polar Surface Area (TPSA) | 389.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 29 |
| Exact Mass | 947.2666 Da |
| Heavy Atoms | 61 |
| Complexity | 1600.0 |
| SMILES | CCCCCCCCCC=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 | IRFYVBULXZMEDE-IIZVUBDFSA-N |
Product Description
Applications: trans-2-dodecoyl-CoA is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies trans-2-dodecoyl-CoA (CAS 1066-12-2) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
trans-2-dodecoyl-CoA (CAS 1066-12-2) is a fine chemical with the molecular formula C33H56N7O17P3S and a molecular weight of 947.27 g/mol. It is also known as trans-2-dodecoyl-CoA and Coenzyme A,S-(2E)-2-dodecenoate.
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 trans-2-dodecoyl-CoA
Property Insights of trans-2-dodecoyl-CoA
The XLogP value of -0.6 indicates that trans-2-dodecoyl-CoA is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 389.0 Ų indicates high polarity, suggesting trans-2-dodecoyl-CoA may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, trans-2-dodecoyl-CoA 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 trans-2-dodecoyl-CoA?
The CAS number of trans-2-dodecoyl-CoA is 1066-12-2.
What is the molecular formula of trans-2-dodecoyl-CoA?
The molecular formula of trans-2-dodecoyl-CoA is C33H56N7O17P3S.
What is the molecular weight of trans-2-dodecoyl-CoA?
The molecular weight of trans-2-dodecoyl-CoA is 947.2666 g/mol.
What are the applications of trans-2-dodecoyl-CoA?
trans-2-dodecoyl-CoA is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies trans-2-dodecoyl-CoA (CAS 1066-12-2) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS,...
Where can I buy trans-2-dodecoyl-CoA?
You can request a quote for trans-2-dodecoyl-CoA directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for trans-2-dodecoyl-CoA?
Yes, CoreyChem provides custom synthesis services for trans-2-dodecoyl-CoA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.