3-Hydroxy-4-methyloctanoyl-CoA
TL;DR: 3-Hydroxy-4-methyloctanoyl-CoA (CAS 177261-60-8) is a chemical compound with molecular formula C30H52N7O18P3S and molecular weight 923.23 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] 3-hydroxy-4-methyloctanethioate
Also Known As: 3-Hydroxy-4-methyloctanoyl-CoA, c0835, 3-Hydroxy-4-methyloctanoyl-CoA; (Acyl-CoA); [M+H]+;
| Molecular Formula | C30H52N7O18P3S |
|---|---|
| Molecular Weight | 923.23 g/mol |
| LogP | 0.242 |
| Topological Polar Surface Area | 383.86 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 25 |
| Exact Mass | 923.2302 |
| Heavy Atoms | 59 |
| Complexity | 1887.7006 |
Chemical Identifiers
| CAS Number | 177261-60-8 |
|---|---|
| SMILES | CCCCC(C)C(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)O |
Product Overview
3-Hydroxy-4-methyloctanoyl-CoA (CAS 177261-60-8), with molecular formula C30H52N7O18P3S and molecular weight 923.23 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] 3-hydroxy-4-methyloctanethioate.
Chemical Property Profile of 3-Hydroxy-4-methyloctanoyl-CoA
Property Insights of 3-Hydroxy-4-methyloctanoyl-CoA
The XLogP value of 0.242 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxy-4-methyloctanoyl-CoA. The TPSA of 383.86 Ų indicates high polarity, suggesting 3-Hydroxy-4-methyloctanoyl-CoA may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-Hydroxy-4-methyloctanoyl-CoA has 10 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 3-Hydroxy-4-methyloctanoyl-CoA?
The CAS number of 3-Hydroxy-4-methyloctanoyl-CoA is 177261-60-8.
What is the molecular formula of 3-Hydroxy-4-methyloctanoyl-CoA?
The molecular formula of 3-Hydroxy-4-methyloctanoyl-CoA is C30H52N7O18P3S.
What is the molecular weight of 3-Hydroxy-4-methyloctanoyl-CoA?
The molecular weight of 3-Hydroxy-4-methyloctanoyl-CoA is 923.23 g/mol.
Where can I buy 3-Hydroxy-4-methyloctanoyl-CoA?
You can request a quote for 3-Hydroxy-4-methyloctanoyl-CoA directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxy-4-methyloctanoyl-CoA?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-4-methyloctanoyl-CoA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.