Acetonyl-coenzyme A
TL;DR: Acetonyl-coenzyme A (CAS 75179-85-0) is a chemical compound with molecular formula C24H40N7O17P3S and molecular weight 823.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[2-(2-oxopropylsulfanyl)ethylamino]propyl]amino]butyl] hydrogen phosphate
Also Known As: Acetonyl-coenzyme A, S-Acetonyl-coa, diphosphate, S-Acetonyl coa, S-Acetonyl-coenzyme A
| Molecular Formula | C24H40N7O17P3S |
|---|---|
| Molecular Weight | 823.14 g/mol |
| LogP | -5.6 |
| Topological Polar Surface Area | 389.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 21 |
| Exact Mass | 823.1414 |
| Heavy Atoms | 52 |
| Complexity | 1400.0 |
Chemical Identifiers
| CAS Number | 75179-85-0 |
|---|---|
| SMILES | CC(=O)CSCCNC(=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 |
| InChIKey | GAMKENBUYYJLCQ-NDZSKPAWSA-N |
Product Overview
Acetonyl-coenzyme A (CAS 75179-85-0), with molecular formula C24H40N7O17P3S and molecular weight 823.14 g/mol. IUPAC: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-[2-(2-oxopropylsulfanyl)ethylamino]propyl]amino]butyl] hydrogen phosphate.
Chemical Property Profile of Acetonyl-coenzyme A
Property Insights of Acetonyl-coenzyme A
The XLogP value of -5.6 indicates that Acetonyl-coenzyme A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 389.0 Ų indicates high polarity, suggesting Acetonyl-coenzyme A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Acetonyl-coenzyme A has 9 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Acetonyl-coenzyme A?
The CAS number of Acetonyl-coenzyme A is 75179-85-0.
What is the molecular formula of Acetonyl-coenzyme A?
The molecular formula of Acetonyl-coenzyme A is C24H40N7O17P3S.
What is the molecular weight of Acetonyl-coenzyme A?
The molecular weight of Acetonyl-coenzyme A is 823.14 g/mol.
Where can I buy Acetonyl-coenzyme A?
You can request a quote for Acetonyl-coenzyme A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetonyl-coenzyme A?
Yes, KEHONG BIO provides custom synthesis services for Acetonyl-coenzyme A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.