Isobutyryl-CoA
TL;DR: Isobutyryl-CoA (CAS 27951-59-3) is a chemical compound with molecular formula C25H42N7O17P3S and molecular weight 837.16 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] 2-methylpropanethioate
Also Known As: isobutyryl-CoA, Isobutyryl CoA, isobutyryl-coenzyme A, isobutanoyl-CoA, 2-Methylpropionyl-CoA
| Molecular Formula | C25H42N7O17P3S |
|---|---|
| Molecular Weight | 837.16 g/mol |
| LogP | -0.6793 |
| Topological Polar Surface Area | 363.63 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 20 |
| Exact Mass | 837.1571 |
| Heavy Atoms | 53 |
| Complexity | 1760.6125 |
Chemical Identifiers
| CAS Number | 27951-59-3 |
|---|---|
| SMILES | CC(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 |
Product Overview
Isobutyryl-CoA (CAS 27951-59-3), with molecular formula C25H42N7O17P3S and molecular weight 837.16 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] 2-methylpropanethioate.
Chemical Property Profile of Isobutyryl-CoA
Property Insights of Isobutyryl-CoA
The XLogP value of -0.6793 indicates that Isobutyryl-CoA is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 363.63 Ų indicates high polarity, suggesting Isobutyryl-CoA may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Isobutyryl-CoA 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 Isobutyryl-CoA?
The CAS number of Isobutyryl-CoA is 27951-59-3.
What is the molecular formula of Isobutyryl-CoA?
The molecular formula of Isobutyryl-CoA is C25H42N7O17P3S.
What is the molecular weight of Isobutyryl-CoA?
The molecular weight of Isobutyryl-CoA is 837.16 g/mol.
Where can I buy Isobutyryl-CoA?
You can request a quote for Isobutyryl-CoA directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isobutyryl-CoA?
Yes, KEHONG BIO provides custom synthesis services for Isobutyryl-CoA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.