7-Methyl-3-oxooctanoyl-CoA
TL;DR: 7-Methyl-3-oxooctanoyl-CoA (CAS 1379003-97-0) is a chemical compound with molecular formula C30H50N7O18P3S and molecular weight 921.21 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] 7-methyl-3-oxooctanethioate
Also Known As: 7-Methyl-3-oxooctanoyl-CoA, 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] 7-methyl-3-oxooctanethioate
| Molecular Formula | C30H50N7O18P3S |
|---|---|
| Molecular Weight | 921.21 g/mol |
| LogP | 0.4502 |
| Topological Polar Surface Area | 380.7 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 25 |
| Exact Mass | 921.2146 |
| Heavy Atoms | 59 |
| Complexity | 1932.7207 |
Chemical Identifiers
| CAS Number | 1379003-97-0 |
|---|---|
| SMILES | CC(C)CCCC(=O)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
7-Methyl-3-oxooctanoyl-CoA (CAS 1379003-97-0), with molecular formula C30H50N7O18P3S and molecular weight 921.21 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] 7-methyl-3-oxooctanethioate.
Chemical Property Profile of 7-Methyl-3-oxooctanoyl-CoA
Property Insights of 7-Methyl-3-oxooctanoyl-CoA
The XLogP value of 0.4502 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Methyl-3-oxooctanoyl-CoA. The TPSA of 380.7 Ų indicates high polarity, suggesting 7-Methyl-3-oxooctanoyl-CoA may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 7-Methyl-3-oxooctanoyl-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-oxooctanoyl-CoA?
The CAS number of 7-Methyl-3-oxooctanoyl-CoA is 1379003-97-0.
What is the molecular formula of 7-Methyl-3-oxooctanoyl-CoA?
The molecular formula of 7-Methyl-3-oxooctanoyl-CoA is C30H50N7O18P3S.
What is the molecular weight of 7-Methyl-3-oxooctanoyl-CoA?
The molecular weight of 7-Methyl-3-oxooctanoyl-CoA is 921.21 g/mol.
Where can I buy 7-Methyl-3-oxooctanoyl-CoA?
You can request a quote for 7-Methyl-3-oxooctanoyl-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-oxooctanoyl-CoA?
Yes, KEHONG BIO provides custom synthesis services for 7-Methyl-3-oxooctanoyl-CoA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.