Dodecenoyl+2-dodecenoyl
TL;DR: Dodecenoyl+2-dodecenoyl (CAS 917-40-8) is a chemical compound with molecular formula C33H56N7O17P3S and molecular weight 947.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[2-[3-[[4-[[[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: Dodecenoyl+2-dodecenoyl, Coenzyme A, S-2-dodecenoate, (Z)-, S-[2-[3-[[4-[[[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, [5-(6-aminopurin-9-yl)-2-{[({3-[(2-{[2-(dodec-2-enoylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]-3-hydroxy-2,2-dimethylpropoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxy]methyl}-4-hydroxyoxolan-3-yl]oxyphosphonic acid, S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethyl] dodec-2-enethioate
| Molecular Formula | C33H56N7O17P3S |
|---|---|
| Molecular Weight | 947.27 g/mol |
| LogP | 2.3616 |
| Topological Polar Surface Area | 363.63 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 28 |
| Exact Mass | 947.2666 |
| Heavy Atoms | 61 |
| Complexity | 1935.7333 |
Chemical Identifiers
| CAS Number | 917-40-8 |
|---|---|
| SMILES | CCCCCCCCCC=CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O |
Product Overview
Dodecenoyl+2-dodecenoyl (CAS 917-40-8), with molecular formula C33H56N7O17P3S and molecular weight 947.27 g/mol. IUPAC: S-[2-[3-[[4-[[[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.
Chemical Property Profile of Dodecenoyl+2-dodecenoyl
Property Insights of Dodecenoyl+2-dodecenoyl
The XLogP value of 2.3616 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dodecenoyl+2-dodecenoyl. The TPSA of 363.63 Ų indicates high polarity, suggesting Dodecenoyl+2-dodecenoyl may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dodecenoyl+2-dodecenoyl has 9 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dodecenoyl+2-dodecenoyl?
The CAS number of Dodecenoyl+2-dodecenoyl is 917-40-8.
What is the molecular formula of Dodecenoyl+2-dodecenoyl?
The molecular formula of Dodecenoyl+2-dodecenoyl is C33H56N7O17P3S.
What is the molecular weight of Dodecenoyl+2-dodecenoyl?
The molecular weight of Dodecenoyl+2-dodecenoyl is 947.27 g/mol.
Where can I buy Dodecenoyl+2-dodecenoyl?
You can request a quote for Dodecenoyl+2-dodecenoyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dodecenoyl+2-dodecenoyl?
Yes, KEHONG BIO provides custom synthesis services for Dodecenoyl+2-dodecenoyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.