Formyl coenzyme A
TL;DR: Formyl coenzyme A (CAS 13131-49-2) is a chemical compound with molecular formula C22H36N7O17P3S and molecular weight 795.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[2-[3-[[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] methanethioate
Also Known As: formyl-CoA, Formyl-coenzyme A, Formyl coenzyme A, Coenzyme A, S-formate, formyl-CoA; (Acyl-CoA); [M+H]+;
| Molecular Formula | C22H36N7O17P3S |
|---|---|
| Molecular Weight | 795.11 g/mol |
| LogP | -5.6 |
| Topological Polar Surface Area | 389.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 20 |
| Exact Mass | 795.1101 |
| Heavy Atoms | 50 |
| Complexity | 1330.0 |
Chemical Identifiers
| CAS Number | 13131-49-2 |
|---|---|
| SMILES | CC(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)C(C(=O)NCCC(=O)NCCSC=O)O |
| InChIKey | SXMOKYXNAPLNCW-BWGWEBPHSA-N |
Product Overview
Formyl coenzyme A (CAS 13131-49-2), with molecular formula C22H36N7O17P3S and molecular weight 795.11 g/mol. IUPAC: S-[2-[3-[[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] methanethioate.
Chemical Property Profile of Formyl coenzyme A
Property Insights of Formyl coenzyme A
The XLogP value of -5.6 indicates that Formyl 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 Formyl coenzyme A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Formyl 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 Formyl coenzyme A?
The CAS number of Formyl coenzyme A is 13131-49-2.
What is the molecular formula of Formyl coenzyme A?
The molecular formula of Formyl coenzyme A is C22H36N7O17P3S.
What is the molecular weight of Formyl coenzyme A?
The molecular weight of Formyl coenzyme A is 795.11 g/mol.
Where can I buy Formyl coenzyme A?
You can request a quote for Formyl coenzyme A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Formyl coenzyme A?
Yes, KEHONG BIO provides custom synthesis services for Formyl coenzyme A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.