3-Phenoxybenzoyl-coenzyme A
TL;DR: 3-Phenoxybenzoyl-coenzyme A (CAS 81424-65-9) is a chemical compound with molecular formula C34H44N7O18P3S and molecular weight 963.17 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-phenoxybenzenecarbothioate
Also Known As: 3-Phenoxybenzoyl-coa, 3-Phenoxybenzoyl-coenzyme A, Coenzyme A, 3-phenoxybenzoyl-, Coenzyme A, S-(3-phenoxybenzoate), Coenzyme A,S-(3-phenoxybenzoate) (9CI)
| Molecular Formula | C34H44N7O18P3S |
|---|---|
| Molecular Weight | 963.17 g/mol |
| LogP | -2.5 |
| Topological Polar Surface Area | 398.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 23 |
| Rotatable Bonds | 23 |
| Exact Mass | 963.16766 |
| Heavy Atoms | 63 |
| Complexity | 1700.0 |
Chemical Identifiers
| CAS Number | 81424-65-9 |
|---|---|
| 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@H](C(=O)NCCC(=O)NCCSC(=O)C4=CC(=CC=C4)OC5=CC=CC=C5)O |
| InChIKey | KYFVEPCCDJEYRH-XWBFYVKYSA-N |
Product Overview
3-Phenoxybenzoyl-coenzyme A (CAS 81424-65-9), with molecular formula C34H44N7O18P3S and molecular weight 963.17 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-phenoxybenzenecarbothioate.
Chemical Property Profile of 3-Phenoxybenzoyl-coenzyme A
Property Insights of 3-Phenoxybenzoyl-coenzyme A
The XLogP value of -2.5 indicates that 3-Phenoxybenzoyl-coenzyme A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 398.0 Ų indicates high polarity, suggesting 3-Phenoxybenzoyl-coenzyme A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-Phenoxybenzoyl-coenzyme A has 9 hydrogen bond donor(s) and 23 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Phenoxybenzoyl-coenzyme A?
The CAS number of 3-Phenoxybenzoyl-coenzyme A is 81424-65-9.
What is the molecular formula of 3-Phenoxybenzoyl-coenzyme A?
The molecular formula of 3-Phenoxybenzoyl-coenzyme A is C34H44N7O18P3S.
What is the molecular weight of 3-Phenoxybenzoyl-coenzyme A?
The molecular weight of 3-Phenoxybenzoyl-coenzyme A is 963.17 g/mol.
Where can I buy 3-Phenoxybenzoyl-coenzyme A?
You can request a quote for 3-Phenoxybenzoyl-coenzyme A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phenoxybenzoyl-coenzyme A?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenoxybenzoyl-coenzyme A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.