7-Methyl-3-oxo-6-octenoyl-CoA
TL;DR: 7-Methyl-3-oxo-6-octenoyl-CoA (CAS 3089-69-8) is a chemical compound with molecular formula C30H48N7O18P3S and molecular weight 919.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[2-[3-[[(2R)-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] 7-methyl-3-oxooct-6-enethioate
Also Known As: 7-Methyl-3-oxo-6-octenoyl-CoA, 7-methyl-3-oxooct-6-enoyl-CoA, c1035, 7-Methyl-3-oxo-6-octenoyl-CoA; (Acyl-CoA); [M+H]+;, 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-{[3-({2-[(7-methyl-3-oxooct-6-enoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl] dihydrogen diphosphate}
| Molecular Formula | C30H48N7O18P3S |
|---|---|
| Molecular Weight | 919.20 g/mol |
| LogP | 0.3703 |
| Topological Polar Surface Area | 380.7 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 24 |
| Exact Mass | 919.1989 |
| Heavy Atoms | 59 |
| Complexity | 1993.0461 |
Chemical Identifiers
| CAS Number | 3089-69-8 |
|---|---|
| SMILES | CC(=CCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](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)C |
Product Overview
7-Methyl-3-oxo-6-octenoyl-CoA (CAS 3089-69-8), with molecular formula C30H48N7O18P3S and molecular weight 919.20 g/mol. IUPAC: S-[2-[3-[[(2R)-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] 7-methyl-3-oxooct-6-enethioate.
Chemical Property Profile of 7-Methyl-3-oxo-6-octenoyl-CoA
Property Insights of 7-Methyl-3-oxo-6-octenoyl-CoA
The XLogP value of 0.3703 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Methyl-3-oxo-6-octenoyl-CoA. The TPSA of 380.7 Ų indicates high polarity, suggesting 7-Methyl-3-oxo-6-octenoyl-CoA may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 7-Methyl-3-oxo-6-octenoyl-CoA has 9 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 7-Methyl-3-oxo-6-octenoyl-CoA?
The CAS number of 7-Methyl-3-oxo-6-octenoyl-CoA is 3089-69-8.
What is the molecular formula of 7-Methyl-3-oxo-6-octenoyl-CoA?
The molecular formula of 7-Methyl-3-oxo-6-octenoyl-CoA is C30H48N7O18P3S.
What is the molecular weight of 7-Methyl-3-oxo-6-octenoyl-CoA?
The molecular weight of 7-Methyl-3-oxo-6-octenoyl-CoA is 919.20 g/mol.
Where can I buy 7-Methyl-3-oxo-6-octenoyl-CoA?
You can request a quote for 7-Methyl-3-oxo-6-octenoyl-CoA directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Methyl-3-oxo-6-octenoyl-CoA?
Yes, KEHONG BIO provides custom synthesis services for 7-Methyl-3-oxo-6-octenoyl-CoA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.