3-Hydroxy-2-methylhexanoyl-CoA
TL;DR: 3-Hydroxy-2-methylhexanoyl-CoA (CAS 177261-59-5) is a chemical compound with molecular formula C28H48N7O18P3S and molecular weight 895.20 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] 3-hydroxy-2-methylhexanethioate
Also Known As: 3-Hydroxy-2-methylhexanoyl-CoA, c0839, 3-Hydroxy-2-methylhexanoyl-CoA; (Acyl-CoA); [M+H]+;
| Molecular Formula | C28H48N7O18P3S |
|---|---|
| Molecular Weight | 895.20 g/mol |
| LogP | -0.5382 |
| Topological Polar Surface Area | 383.86 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 23 |
| Exact Mass | 895.1989 |
| Heavy Atoms | 57 |
| Complexity | 1851.7957 |
Chemical Identifiers
| CAS Number | 177261-59-5 |
|---|---|
| SMILES | CCCC(C(C)C(=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-2-methylhexanoyl-CoA (CAS 177261-59-5), with molecular formula C28H48N7O18P3S and molecular weight 895.20 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] 3-hydroxy-2-methylhexanethioate.
Chemical Property Profile of 3-Hydroxy-2-methylhexanoyl-CoA
Property Insights of 3-Hydroxy-2-methylhexanoyl-CoA
The XLogP value of -0.5382 indicates that 3-Hydroxy-2-methylhexanoyl-CoA is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 383.86 Ų indicates high polarity, suggesting 3-Hydroxy-2-methylhexanoyl-CoA may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-Hydroxy-2-methylhexanoyl-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-2-methylhexanoyl-CoA?
The CAS number of 3-Hydroxy-2-methylhexanoyl-CoA is 177261-59-5.
What is the molecular formula of 3-Hydroxy-2-methylhexanoyl-CoA?
The molecular formula of 3-Hydroxy-2-methylhexanoyl-CoA is C28H48N7O18P3S.
What is the molecular weight of 3-Hydroxy-2-methylhexanoyl-CoA?
The molecular weight of 3-Hydroxy-2-methylhexanoyl-CoA is 895.20 g/mol.
Where can I buy 3-Hydroxy-2-methylhexanoyl-CoA?
You can request a quote for 3-Hydroxy-2-methylhexanoyl-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-2-methylhexanoyl-CoA?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-2-methylhexanoyl-CoA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.