Acetyl-dephospho-coa
TL;DR: Acetyl-dephospho-coa (CAS 36597-97-4) is a chemical compound with molecular formula C23H37N7O14P2S and molecular weight 729.16 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)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] ethanethioate
Also Known As: Acetyl-dephospho-coa, Acetyl-dephospho-coenzyme A, acyl-dephospho-CoA, 3'-Dephosphoacetyl-CoA, 3'-dephospho-acetyl-CoA
| Molecular Formula | C23H37N7O14P2S |
|---|---|
| Molecular Weight | 729.16 g/mol |
| LogP | -4.5 |
| Topological Polar Surface Area | 342.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 18 |
| Exact Mass | 729.1594 |
| Heavy Atoms | 47 |
| Complexity | 1210.0 |
Chemical Identifiers
| CAS Number | 36597-97-4 |
|---|---|
| SMILES | 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)O)O |
| InChIKey | XEFUABMMGJVHSD-ZSJPKINUSA-N |
Product Overview
Acetyl-dephospho-coa (CAS 36597-97-4), with molecular formula C23H37N7O14P2S and molecular weight 729.16 g/mol. IUPAC: S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] ethanethioate.
Chemical Property Profile of Acetyl-dephospho-coa
Property Insights of Acetyl-dephospho-coa
The XLogP value of -4.5 indicates that Acetyl-dephospho-coa is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 342.0 Ų indicates high polarity, suggesting Acetyl-dephospho-coa may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Acetyl-dephospho-coa has 8 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 Acetyl-dephospho-coa?
The CAS number of Acetyl-dephospho-coa is 36597-97-4.
What is the molecular formula of Acetyl-dephospho-coa?
The molecular formula of Acetyl-dephospho-coa is C23H37N7O14P2S.
What is the molecular weight of Acetyl-dephospho-coa?
The molecular weight of Acetyl-dephospho-coa is 729.16 g/mol.
Where can I buy Acetyl-dephospho-coa?
You can request a quote for Acetyl-dephospho-coa directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetyl-dephospho-coa?
Yes, KEHONG BIO provides custom synthesis services for Acetyl-dephospho-coa and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.