苯乙酰辅酶A
TL;DR: 苯乙酰辅酶A (CAS 7532-39-0) is a chemical compound with molecular formula C29H42N7O17P3S and molecular weight 885.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯乙酰辅酶A
S-[2-[3-[[4-[[[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-phenylethanethioate
Also Known As: Phenylacetyl CoA, phenylacetyl-CoA, Phenylacetyl coenzyme A, Phenylacetyl-coenzyme A, Phenylacetyl Coenzyme A, Free acid
| Molecular Formula | C29H42N7O17P3S |
|---|---|
| Molecular Weight | 885.16 g/mol |
| LogP | -4.0 |
| Topological Polar Surface Area | 389.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 22 |
| Exact Mass | 885.1571 |
| Heavy Atoms | 57 |
| Complexity | 1530.0 |
Chemical Identifiers
| CAS Number | 7532-39-0 |
|---|---|
| SMILES | CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)CC4=CC=CC=C4)O |
| InChIKey | ZIGIFDRJFZYEEQ-UHFFFAOYSA-N |
Product Overview
苯乙酰辅酶A (CAS 7532-39-0), with molecular formula C29H42N7O17P3S and molecular weight 885.16 g/mol. IUPAC: S-[2-[3-[[4-[[[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-phenylethanethioate.
Chemical Property Profile of 苯乙酰辅酶A
Property Insights of 苯乙酰辅酶A
The XLogP value of -4.0 indicates that 苯乙酰辅酶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 苯乙酰辅酶A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 苯乙酰辅酶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 苯乙酰辅酶A?
The CAS number of 苯乙酰辅酶A is 7532-39-0.
What is the molecular formula of 苯乙酰辅酶A?
The molecular formula of 苯乙酰辅酶A is C29H42N7O17P3S.
What is the molecular weight of 苯乙酰辅酶A?
The molecular weight of 苯乙酰辅酶A is 885.16 g/mol.
Where can I buy 苯乙酰辅酶A?
You can request a quote for 苯乙酰辅酶A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯乙酰辅酶A?
Yes, KEHONG BIO provides custom synthesis services for 苯乙酰辅酶A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.